REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2gps_1_A DATA FIRST_RESID -4 DATA SEQUENCE PRGSHMLDKI VIANRGEIAL RILRACKRLG IKTVAVHSSA DRDLKHVLLA DATA SEQUENCE DETVCIGPAP SVKSYLNIPA IISAAEITGA VAIHPGYGFL SENANFAEQV DATA SEQUENCE ERSGFIFIGP KAETIRLMGD KVSAIAAMKK AGVPCVPGSD GPLGDDMDKN DATA SEQUENCE RAIAKRIGYP VIIKASGGGX XXXMRVVRGD AELAQSISMT RAEAKAAFSN DATA SEQUENCE DMVYMEKYLE NPRHVEIQVL ADGQGNAIYL AERDCSMQRR HQKVVEEAPA DATA SEQUENCE PGITPELRRY IGERCAKACV DIGYRGAGTF EFLFENGEFY FIEMNTRIQV DATA SEQUENCE EHPVTEMITG VDLIKEQLRI AAGQPLSIKQ EEVHVRGHAV ECRINAEDPN DATA SEQUENCE TFLPSPGKIT RFHAPGGFGV RWESHIYAGY TVPPYYDSMI GKLICYGENR DATA SEQUENCE DVAIARMKNA LQELIIDGIK TNVDLQIRIM NDENFQHGGT NIHYLEKKLG DATA SEQUENCE L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -4 P HA 0.000 nan 4.420 nan 0.000 0.216 -4 P C 0.000 177.299 177.300 -0.002 0.000 1.155 -4 P CA 0.000 63.102 63.100 0.003 0.000 0.800 -4 P CB 0.000 31.704 31.700 0.007 0.000 0.726 -3 R N 1.020 121.515 120.500 -0.009 0.000 2.623 -3 R HA 0.434 4.777 4.340 0.006 0.000 0.271 -3 R C 1.130 177.405 176.300 -0.042 0.000 1.043 -3 R CA 1.173 57.259 56.100 -0.024 0.000 1.083 -3 R CB 0.023 30.311 30.300 -0.021 0.000 0.974 -3 R HN 0.879 nan 8.270 nan 0.000 0.436 -2 G N 2.216 110.965 108.800 -0.085 0.000 2.351 -2 G HA2 -0.267 3.697 3.960 0.006 0.000 0.297 -2 G HA3 -0.267 3.697 3.960 0.006 0.000 0.297 -2 G C -0.162 174.692 174.900 -0.075 0.000 1.054 -2 G CA 0.392 45.410 45.100 -0.136 0.000 1.123 -2 G HN 0.484 nan 8.290 nan 0.000 0.512 -1 S N 2.516 118.205 115.700 -0.017 0.000 3.811 -1 S HA 0.467 4.940 4.470 0.006 0.000 0.205 -1 S C 0.399 175.137 174.600 0.229 0.000 1.445 -1 S CA 0.434 58.683 58.200 0.081 0.000 1.097 -1 S CB -0.481 62.776 63.200 0.095 0.000 1.350 -1 S HN 1.965 nan 8.310 nan 0.000 0.471 0 H N -0.982 118.090 119.070 0.004 0.000 6.202 0 H HA -0.122 4.438 4.556 0.006 0.000 0.877 0 H C 0.200 175.531 175.328 0.005 0.000 1.980 0 H CA 0.118 56.168 56.048 0.003 0.000 1.414 0 H CB -1.279 28.485 29.762 0.003 0.000 4.652 0 H HN 0.311 nan 8.280 nan 0.000 0.682 1 M N 3.585 123.110 119.600 -0.126 0.000 2.308 1 M HA -0.136 4.348 4.480 0.006 0.000 0.257 1 M C 0.416 176.593 176.300 -0.205 0.000 1.070 1 M CA 2.232 57.447 55.300 -0.142 0.000 1.080 1 M CB -0.161 32.409 32.600 -0.048 0.000 1.274 1 M HN 0.539 nan 8.290 nan 0.000 0.434 2 L N 1.531 122.667 121.223 -0.146 0.000 2.415 2 L HA 0.010 4.354 4.340 0.006 0.000 0.269 2 L C 0.539 177.328 176.870 -0.135 0.000 1.244 2 L CA -0.579 54.212 54.840 -0.082 0.000 1.113 2 L CB -0.607 41.457 42.059 0.008 0.000 1.352 2 L HN 0.345 nan 8.230 nan 0.000 0.433 3 D N 1.552 121.829 120.400 -0.205 0.000 2.149 3 D HA -0.136 4.508 4.640 0.006 0.000 0.198 3 D C 0.898 177.203 176.300 0.007 0.000 0.990 3 D CA 1.574 55.474 54.000 -0.168 0.000 0.839 3 D CB 0.362 41.100 40.800 -0.103 0.000 0.948 3 D HN 0.399 nan 8.370 nan 0.000 0.460 4 K N -0.422 119.982 120.400 0.008 0.000 2.523 4 K HA 0.520 4.844 4.320 0.006 0.000 0.257 4 K C -1.752 174.853 176.600 0.008 0.000 0.932 4 K CA -0.505 55.793 56.287 0.019 0.000 0.812 4 K CB 1.711 34.216 32.500 0.009 0.000 1.326 4 K HN -0.198 nan 8.250 nan 0.000 0.433 5 I N 3.275 123.849 120.570 0.006 0.000 2.607 5 I HA 0.239 4.412 4.170 0.006 0.000 0.290 5 I C -0.738 175.370 176.117 -0.015 0.000 1.129 5 I CA -1.179 60.119 61.300 -0.004 0.000 1.042 5 I CB 2.306 40.321 38.000 0.025 0.000 1.242 5 I HN 0.266 nan 8.210 nan 0.000 0.421 6 V N 6.627 126.516 119.914 -0.041 0.000 2.461 6 V HA 0.277 4.401 4.120 0.006 0.000 0.275 6 V C 0.424 176.526 176.094 0.014 0.000 1.047 6 V CA -0.244 62.041 62.300 -0.025 0.000 0.955 6 V CB 1.221 33.005 31.823 -0.066 0.000 0.988 6 V HN 0.426 nan 8.190 nan 0.000 0.471 7 I N 4.842 125.421 120.570 0.016 0.000 2.268 7 I HA 0.281 4.455 4.170 0.006 0.000 0.290 7 I C 1.002 177.112 176.117 -0.012 0.000 1.125 7 I CA -0.208 61.081 61.300 -0.018 0.000 1.236 7 I CB 0.698 38.658 38.000 -0.067 0.000 1.469 7 I HN 0.679 nan 8.210 nan 0.000 0.512 8 A N 5.781 128.611 122.820 0.017 0.000 3.052 8 A HA 0.231 4.554 4.320 0.006 0.000 0.266 8 A C 0.307 177.833 177.584 -0.096 0.000 1.855 8 A CA 0.262 52.306 52.037 0.011 0.000 1.473 8 A CB -0.559 18.500 19.000 0.099 0.000 1.038 8 A HN 0.816 nan 8.150 nan 0.000 0.619 9 N N 0.029 118.607 118.700 -0.204 0.000 3.505 9 N HA 0.379 5.123 4.740 0.006 0.000 0.349 9 N C -0.738 174.400 175.510 -0.619 0.000 1.491 9 N CA -0.087 52.702 53.050 -0.435 0.000 0.859 9 N CB 0.951 39.239 38.487 -0.331 0.000 2.068 9 N HN 0.683 nan 8.380 nan 0.000 0.500 10 R N -1.121 118.973 120.500 -0.676 0.000 3.014 10 R HA 0.610 4.954 4.340 0.006 0.000 0.262 10 R C 0.630 176.591 176.300 -0.564 0.000 1.066 10 R CA 0.014 55.733 56.100 -0.635 0.000 0.939 10 R CB -0.302 29.451 30.300 -0.912 0.000 1.372 10 R HN 0.676 nan 8.270 nan 0.000 0.431 11 G N 0.803 109.265 108.800 -0.563 0.000 2.582 11 G HA2 -0.478 3.486 3.960 0.006 0.000 0.300 11 G HA3 -0.478 3.486 3.960 0.006 0.000 0.300 11 G C 0.718 175.296 174.900 -0.537 0.000 1.300 11 G CA 1.318 45.898 45.100 -0.866 0.000 0.959 11 G HN 1.054 nan 8.290 nan 0.000 0.548 12 E N -0.466 119.571 120.200 -0.272 0.000 2.204 12 E HA 0.020 4.373 4.350 0.006 0.000 0.195 12 E C 2.391 178.892 176.600 -0.165 0.000 0.990 12 E CA 1.990 58.340 56.400 -0.083 0.000 0.821 12 E CB -0.110 29.585 29.700 -0.009 0.000 0.750 12 E HN 0.629 nan 8.360 nan 0.000 0.477 13 I N 0.700 121.110 120.570 -0.266 0.000 2.286 13 I HA 0.008 4.182 4.170 0.006 0.000 0.245 13 I C 2.227 178.118 176.117 -0.377 0.000 1.104 13 I CA 1.160 62.267 61.300 -0.322 0.000 1.397 13 I CB -0.751 36.839 38.000 -0.683 0.000 1.072 13 I HN 0.226 nan 8.210 nan 0.000 0.417 14 A N 0.389 122.903 122.820 -0.510 0.000 1.859 14 A HA -0.265 4.059 4.320 0.006 0.000 0.217 14 A C 2.290 179.598 177.584 -0.461 0.000 1.198 14 A CA 2.264 53.893 52.037 -0.681 0.000 0.629 14 A CB -1.430 16.751 19.000 -1.366 0.000 0.830 14 A HN 0.486 nan 8.150 nan 0.000 0.446 15 L N -0.059 120.975 121.223 -0.316 0.000 2.021 15 L HA -0.237 4.107 4.340 0.006 0.000 0.215 15 L C 2.475 179.288 176.870 -0.096 0.000 1.074 15 L CA 2.867 57.656 54.840 -0.085 0.000 0.760 15 L CB -0.694 41.355 42.059 -0.017 0.000 0.889 15 L HN 0.523 nan 8.230 nan 0.000 0.433 16 R N 0.035 120.462 120.500 -0.122 0.000 2.082 16 R HA -0.173 4.170 4.340 0.006 0.000 0.234 16 R C 2.185 178.427 176.300 -0.096 0.000 1.136 16 R CA 2.448 58.504 56.100 -0.073 0.000 0.935 16 R CB -0.903 29.386 30.300 -0.019 0.000 0.842 16 R HN 0.522 nan 8.270 nan 0.000 0.430 17 I N 0.574 121.030 120.570 -0.190 0.000 2.118 17 I HA -0.320 3.853 4.170 0.006 0.000 0.241 17 I C 2.443 178.473 176.117 -0.144 0.000 1.070 17 I CA 1.679 62.833 61.300 -0.244 0.000 1.327 17 I CB -0.516 37.214 38.000 -0.450 0.000 1.034 17 I HN 0.282 nan 8.210 nan 0.000 0.405 18 L N 0.890 122.044 121.223 -0.114 0.000 1.997 18 L HA -0.302 4.041 4.340 0.006 0.000 0.216 18 L C 2.845 179.698 176.870 -0.028 0.000 1.074 18 L CA 1.851 56.667 54.840 -0.041 0.000 0.763 18 L CB -0.391 41.677 42.059 0.015 0.000 0.890 18 L HN 0.119 nan 8.230 nan 0.000 0.434 19 R N -0.524 119.958 120.500 -0.029 0.000 2.139 19 R HA -0.203 4.141 4.340 0.006 0.000 0.243 19 R C 2.208 178.496 176.300 -0.020 0.000 1.145 19 R CA 1.330 57.420 56.100 -0.017 0.000 0.976 19 R CB -0.587 29.706 30.300 -0.011 0.000 0.866 19 R HN 0.628 nan 8.270 nan 0.000 0.449 20 A N 0.393 123.194 122.820 -0.032 0.000 1.897 20 A HA -0.139 4.184 4.320 0.006 0.000 0.215 20 A C 2.454 180.023 177.584 -0.026 0.000 1.181 20 A CA 1.194 53.214 52.037 -0.027 0.000 0.620 20 A CB -0.673 18.306 19.000 -0.035 0.000 0.821 20 A HN 0.407 nan 8.150 nan 0.000 0.443 21 C N -0.760 118.524 119.300 -0.026 0.000 2.436 21 C HA -0.067 4.396 4.460 0.006 0.000 0.277 21 C C 2.696 177.675 174.990 -0.017 0.000 1.241 21 C CA 1.438 60.449 59.018 -0.011 0.000 1.721 21 C CB -1.009 26.731 27.740 -0.000 0.000 2.043 21 C HN 0.731 nan 8.230 nan 0.000 0.472 22 K N 0.841 121.233 120.400 -0.014 0.000 2.063 22 K HA -0.208 4.115 4.320 0.006 0.000 0.208 22 K C 2.289 178.873 176.600 -0.027 0.000 1.048 22 K CA 1.523 57.802 56.287 -0.013 0.000 0.928 22 K CB -0.270 32.226 32.500 -0.006 0.000 0.713 22 K HN 0.453 nan 8.250 nan 0.000 0.442 23 R N 0.304 120.787 120.500 -0.028 0.000 2.280 23 R HA -0.032 4.312 4.340 0.006 0.000 0.207 23 R C 1.013 177.279 176.300 -0.056 0.000 1.043 23 R CA 0.840 56.920 56.100 -0.033 0.000 1.006 23 R CB 0.093 30.380 30.300 -0.022 0.000 0.885 23 R HN 0.235 nan 8.270 nan 0.000 0.467 24 L N -0.711 120.466 121.223 -0.077 0.000 2.766 24 L HA 0.379 4.722 4.340 0.006 0.000 0.242 24 L C 0.924 177.649 176.870 -0.242 0.000 1.136 24 L CA 0.284 55.040 54.840 -0.140 0.000 0.933 24 L CB 1.039 43.022 42.059 -0.127 0.000 1.241 24 L HN 0.389 nan 8.230 nan 0.000 0.522 25 G N 1.228 109.939 108.800 -0.148 0.000 2.153 25 G HA2 -0.283 3.680 3.960 0.006 0.000 0.252 25 G HA3 -0.283 3.680 3.960 0.006 0.000 0.252 25 G C 0.228 175.090 174.900 -0.063 0.000 0.994 25 G CA -0.118 44.906 45.100 -0.127 0.000 0.698 25 G HN 0.306 nan 8.290 nan 0.000 0.521 26 I N 0.510 121.075 120.570 -0.010 0.000 2.471 26 I HA 0.222 4.396 4.170 0.006 0.000 0.286 26 I C 0.784 176.953 176.117 0.087 0.000 1.079 26 I CA -0.550 60.848 61.300 0.163 0.000 1.398 26 I CB 0.755 38.855 38.000 0.166 0.000 1.403 26 I HN -0.056 nan 8.210 nan 0.000 0.530 27 K N 4.335 124.790 120.400 0.092 0.000 2.448 27 K HA 0.116 4.439 4.320 0.006 0.000 0.278 27 K C 0.248 176.871 176.600 0.039 0.000 1.009 27 K CA 0.045 56.363 56.287 0.052 0.000 0.995 27 K CB 0.374 32.900 32.500 0.044 0.000 0.917 27 K HN 0.707 nan 8.250 nan 0.000 0.481 28 T N -1.498 113.073 114.554 0.029 0.000 2.895 28 T HA 0.601 4.955 4.350 0.006 0.000 0.283 28 T C -0.549 174.165 174.700 0.024 0.000 1.014 28 T CA -0.949 61.167 62.100 0.026 0.000 1.037 28 T CB 1.123 70.008 68.868 0.029 0.000 1.006 28 T HN 0.105 nan 8.240 nan 0.000 0.468 29 V N 2.282 122.209 119.914 0.023 0.000 2.419 29 V HA 0.675 4.798 4.120 0.006 0.000 0.287 29 V C 0.282 176.402 176.094 0.043 0.000 1.017 29 V CA -0.984 61.328 62.300 0.020 0.000 0.844 29 V CB 0.884 32.703 31.823 -0.007 0.000 1.011 29 V HN 1.291 nan 8.190 nan 0.000 0.429 30 A N 5.075 127.937 122.820 0.070 0.000 2.289 30 A HA 0.759 5.083 4.320 0.006 0.000 0.298 30 A C -0.093 177.569 177.584 0.131 0.000 1.208 30 A CA -0.441 51.676 52.037 0.134 0.000 0.845 30 A CB 0.945 19.990 19.000 0.075 0.000 1.125 30 A HN 1.230 nan 8.150 nan 0.000 0.517 31 V N 2.209 122.200 119.914 0.129 0.000 2.394 31 V HA 0.749 4.872 4.120 0.006 0.000 0.282 31 V C -0.293 175.873 176.094 0.119 0.000 1.031 31 V CA -0.457 61.864 62.300 0.035 0.000 0.881 31 V CB 0.066 31.875 31.823 -0.023 0.000 0.982 31 V HN 1.105 nan 8.190 nan 0.000 0.451 32 H N 2.338 121.398 119.070 -0.017 0.000 2.869 32 H HA 0.940 5.500 4.556 0.006 0.000 0.342 32 H C -0.027 175.147 175.328 -0.256 0.000 1.250 32 H CA -0.252 55.774 56.048 -0.037 0.000 1.217 32 H CB 1.622 31.387 29.762 0.004 0.000 1.917 32 H HN 0.846 nan 8.280 nan 0.000 0.586 33 S N -0.703 114.935 115.700 -0.104 0.000 2.715 33 S HA 0.348 4.821 4.470 0.006 0.000 0.307 33 S C 0.149 174.838 174.600 0.149 0.000 1.119 33 S CA -0.607 57.521 58.200 -0.119 0.000 0.937 33 S CB 1.516 64.563 63.200 -0.255 0.000 1.150 33 S HN 0.587 nan 8.310 nan 0.000 0.521 34 S N 0.103 115.849 115.700 0.077 0.000 2.786 34 S HA 0.303 4.776 4.470 0.006 0.000 0.223 34 S C 1.252 175.916 174.600 0.107 0.000 0.956 34 S CA 0.264 58.523 58.200 0.098 0.000 0.961 34 S CB -0.927 62.302 63.200 0.047 0.000 0.784 34 S HN 0.796 nan 8.310 nan 0.000 0.519 35 A N 0.686 123.608 122.820 0.171 0.000 2.085 35 A HA 0.201 4.525 4.320 0.006 0.000 0.208 35 A C 0.815 178.573 177.584 0.290 0.000 1.191 35 A CA 0.186 52.381 52.037 0.263 0.000 0.799 35 A CB 0.262 19.501 19.000 0.398 0.000 0.877 35 A HN 0.285 nan 8.150 nan 0.000 0.473 36 D N -0.646 119.921 120.400 0.278 0.000 2.643 36 D HA 0.137 4.781 4.640 0.006 0.000 0.244 36 D C 1.292 177.647 176.300 0.092 0.000 1.257 36 D CA -0.162 53.985 54.000 0.244 0.000 0.831 36 D CB 0.147 41.115 40.800 0.280 0.000 1.043 36 D HN 0.355 nan 8.370 nan 0.000 0.488 37 R N 0.591 121.116 120.500 0.042 0.000 2.120 37 R HA -0.095 4.249 4.340 0.006 0.000 0.234 37 R C -0.081 176.158 176.300 -0.102 0.000 1.123 37 R CA 1.054 57.083 56.100 -0.119 0.000 0.975 37 R CB 0.352 30.639 30.300 -0.022 0.000 0.866 37 R HN -0.058 nan 8.270 nan 0.000 0.446 38 D N 0.276 120.707 120.400 0.053 0.000 2.696 38 D HA 0.153 4.796 4.640 0.006 0.000 0.269 38 D C -0.525 175.959 176.300 0.306 0.000 1.319 38 D CA -0.139 53.945 54.000 0.140 0.000 0.826 38 D CB 0.362 41.269 40.800 0.178 0.000 1.086 38 D HN 0.144 nan 8.370 nan 0.000 0.481 39 L N 0.743 122.091 121.223 0.208 0.000 2.439 39 L HA 0.081 4.424 4.340 0.006 0.000 0.269 39 L C 1.863 178.819 176.870 0.144 0.000 1.179 39 L CA -0.311 54.676 54.840 0.244 0.000 0.828 39 L CB 1.037 43.185 42.059 0.149 0.000 1.106 39 L HN -0.230 nan 8.230 nan 0.000 0.467 40 K N 1.821 122.355 120.400 0.222 0.000 2.020 40 K HA -0.244 4.079 4.320 0.006 0.000 0.212 40 K C 2.166 178.799 176.600 0.055 0.000 1.050 40 K CA 2.065 58.434 56.287 0.135 0.000 0.929 40 K CB -0.334 32.260 32.500 0.156 0.000 0.714 40 K HN 0.756 nan 8.250 nan 0.000 0.443 41 H N -0.584 118.494 119.070 0.014 0.000 2.422 41 H HA -0.063 4.496 4.556 0.006 0.000 0.298 41 H C 1.710 177.031 175.328 -0.012 0.000 1.098 41 H CA 1.716 57.753 56.048 -0.018 0.000 1.315 41 H CB -0.463 29.267 29.762 -0.053 0.000 1.382 41 H HN 0.055 nan 8.280 nan 0.000 0.523 42 V N 1.881 121.398 119.914 -0.663 0.000 2.453 42 V HA -0.194 3.930 4.120 0.006 0.000 0.247 42 V C 3.038 178.999 176.094 -0.221 0.000 1.048 42 V CA 1.303 63.303 62.300 -0.500 0.000 1.049 42 V CB -0.487 31.050 31.823 -0.477 0.000 0.672 42 V HN 0.309 nan 8.190 nan 0.000 0.457 43 L N -0.866 120.270 121.223 -0.145 0.000 2.362 43 L HA -0.066 4.277 4.340 0.006 0.000 0.219 43 L C 2.063 178.893 176.870 -0.066 0.000 1.134 43 L CA 1.099 55.885 54.840 -0.089 0.000 0.807 43 L CB -0.407 41.610 42.059 -0.070 0.000 0.927 43 L HN 0.321 nan 8.230 nan 0.000 0.447 44 L N -0.575 120.614 121.223 -0.058 0.000 2.513 44 L HA 0.247 4.591 4.340 0.006 0.000 0.222 44 L C 1.450 178.310 176.870 -0.017 0.000 1.096 44 L CA -0.302 54.522 54.840 -0.026 0.000 0.857 44 L CB -0.050 42.008 42.059 -0.003 0.000 1.026 44 L HN 0.089 nan 8.230 nan 0.000 0.469 45 A N -0.002 122.802 122.820 -0.027 0.000 2.425 45 A HA 0.003 4.327 4.320 0.006 0.000 0.242 45 A C 0.775 178.357 177.584 -0.004 0.000 1.077 45 A CA -0.115 51.919 52.037 -0.005 0.000 0.781 45 A CB 0.144 19.142 19.000 -0.003 0.000 1.020 45 A HN 0.230 nan 8.150 nan 0.000 0.494 46 D N 0.448 120.853 120.400 0.007 0.000 2.224 46 D HA -0.011 4.632 4.640 0.006 0.000 0.205 46 D C 0.152 176.457 176.300 0.008 0.000 0.965 46 D CA 1.364 55.368 54.000 0.008 0.000 0.852 46 D CB 0.352 41.160 40.800 0.013 0.000 0.947 46 D HN 0.731 nan 8.370 nan 0.000 0.494 47 E N -0.960 119.247 120.200 0.012 0.000 2.413 47 E HA 0.372 4.725 4.350 0.006 0.000 0.277 47 E C -0.736 175.881 176.600 0.028 0.000 0.958 47 E CA -0.677 55.733 56.400 0.016 0.000 0.779 47 E CB 2.398 32.106 29.700 0.014 0.000 1.278 47 E HN -0.052 nan 8.360 nan 0.000 0.456 48 T N -2.157 112.427 114.554 0.049 0.000 2.901 48 T HA 0.810 5.164 4.350 0.006 0.000 0.293 48 T C -1.021 173.738 174.700 0.098 0.000 1.084 48 T CA -0.776 61.393 62.100 0.116 0.000 1.008 48 T CB 1.324 70.281 68.868 0.148 0.000 1.170 48 T HN 0.195 nan 8.240 nan 0.000 0.509 49 V N 0.568 120.503 119.914 0.035 0.000 2.752 49 V HA 0.426 4.549 4.120 0.006 0.000 0.302 49 V C -0.162 175.566 176.094 -0.610 0.000 1.133 49 V CA -1.221 60.989 62.300 -0.151 0.000 0.919 49 V CB 1.519 33.273 31.823 -0.116 0.000 1.026 49 V HN 1.347 nan 8.190 nan 0.000 0.429 50 C N 6.708 125.641 119.300 -0.613 0.000 2.499 50 C HA 0.592 5.055 4.460 0.006 0.000 0.386 50 C C 1.375 176.137 174.990 -0.381 0.000 1.293 50 C CA -0.159 58.423 59.018 -0.727 0.000 1.884 50 C CB -0.922 26.664 27.740 -0.258 0.000 2.509 50 C HN 0.890 nan 8.230 nan 0.000 0.566 51 I N 4.245 124.587 120.570 -0.379 0.000 3.936 51 I HA 0.615 4.788 4.170 0.006 0.000 0.330 51 I C 0.587 176.569 176.117 -0.225 0.000 1.509 51 I CA 0.245 61.388 61.300 -0.261 0.000 1.126 51 I CB -0.463 37.383 38.000 -0.257 0.000 1.115 51 I HN 0.866 nan 8.210 nan 0.000 0.424 52 G N 1.631 110.305 108.800 -0.209 0.000 2.351 52 G HA2 0.095 4.059 3.960 0.006 0.000 0.353 52 G HA3 0.095 4.059 3.960 0.006 0.000 0.353 52 G C -3.337 171.471 174.900 -0.154 0.000 1.358 52 G CA -0.761 44.242 45.100 -0.162 0.000 0.995 52 G HN -0.008 nan 8.290 nan 0.000 0.611 53 P HA 0.411 nan 4.420 nan 0.000 0.274 53 P C 1.383 178.583 177.300 -0.167 0.000 1.260 53 P CA 0.734 63.763 63.100 -0.119 0.000 0.793 53 P CB 0.550 32.189 31.700 -0.102 0.000 1.048 54 A N 0.984 123.665 122.820 -0.231 0.000 1.894 54 A HA -0.138 4.186 4.320 0.006 0.000 0.220 54 A C -1.079 176.235 177.584 -0.450 0.000 1.237 54 A CA 1.712 53.474 52.037 -0.458 0.000 0.660 54 A CB -2.826 15.602 19.000 -0.953 0.000 0.835 54 A HN 0.557 nan 8.150 nan 0.000 0.461 55 P HA 0.135 nan 4.420 nan 0.000 0.266 55 P C 0.583 177.892 177.300 0.015 0.000 1.195 55 P CA 0.514 63.496 63.100 -0.197 0.000 0.768 55 P CB 0.794 32.429 31.700 -0.107 0.000 0.838 56 S N 1.877 117.701 115.700 0.207 0.000 2.368 56 S HA -0.134 4.339 4.470 0.006 0.000 0.224 56 S C 1.864 176.554 174.600 0.151 0.000 1.029 56 S CA 1.599 59.996 58.200 0.328 0.000 0.988 56 S CB -1.069 62.473 63.200 0.570 0.000 0.838 56 S HN 0.544 nan 8.310 nan 0.000 0.462 57 V N 0.850 120.836 119.914 0.120 0.000 2.370 57 V HA -0.197 3.926 4.120 0.006 0.000 0.252 57 V C 1.793 177.895 176.094 0.012 0.000 1.068 57 V CA 1.582 63.923 62.300 0.067 0.000 1.061 57 V CB -0.644 31.212 31.823 0.057 0.000 0.656 57 V HN 0.310 nan 8.190 nan 0.000 0.455 58 K N 1.130 121.518 120.400 -0.020 0.000 2.323 58 K HA 0.158 4.481 4.320 0.006 0.000 0.197 58 K C 2.189 178.721 176.600 -0.113 0.000 1.043 58 K CA 1.248 57.501 56.287 -0.058 0.000 0.997 58 K CB 0.229 32.690 32.500 -0.064 0.000 0.807 58 K HN 0.789 nan 8.250 nan 0.000 0.497 59 S N -0.321 115.284 115.700 -0.158 0.000 2.860 59 S HA 0.020 4.493 4.470 0.006 0.000 0.181 59 S C 1.887 176.271 174.600 -0.360 0.000 0.763 59 S CA -0.097 57.904 58.200 -0.332 0.000 0.829 59 S CB -0.785 62.100 63.200 -0.526 0.000 0.793 59 S HN 0.077 nan 8.310 nan 0.000 0.614 60 Y N 1.970 122.129 120.300 -0.235 0.000 2.509 60 Y HA 0.355 4.908 4.550 0.006 0.000 0.293 60 Y C 1.882 177.582 175.900 -0.334 0.000 1.133 60 Y CA 0.305 58.135 58.100 -0.450 0.000 1.283 60 Y CB -0.504 37.360 38.460 -0.993 0.000 1.001 60 Y HN 0.230 nan 8.280 nan 0.000 0.555 61 L N -0.247 120.954 121.223 -0.036 0.000 2.592 61 L HA 0.061 4.405 4.340 0.006 0.000 0.227 61 L C 0.683 177.522 176.870 -0.053 0.000 1.127 61 L CA -0.001 54.833 54.840 -0.010 0.000 0.884 61 L CB -0.118 41.992 42.059 0.084 0.000 1.065 61 L HN 0.034 nan 8.230 nan 0.000 0.457 62 N N 1.379 120.032 118.700 -0.078 0.000 2.605 62 N HA 0.107 4.851 4.740 0.006 0.000 0.258 62 N C 1.207 176.706 175.510 -0.019 0.000 1.156 62 N CA 0.130 53.150 53.050 -0.050 0.000 1.008 62 N CB 0.459 38.901 38.487 -0.075 0.000 1.354 62 N HN 0.234 nan 8.380 nan 0.000 0.509 63 I N 3.148 123.737 120.570 0.031 0.000 2.113 63 I HA -0.256 3.918 4.170 0.006 0.000 0.242 63 I C -0.538 175.698 176.117 0.197 0.000 1.064 63 I CA 1.386 62.797 61.300 0.185 0.000 1.320 63 I CB -0.962 37.201 38.000 0.273 0.000 1.028 63 I HN 0.395 nan 8.210 nan 0.000 0.406 64 P HA -0.054 nan 4.420 nan 0.000 0.222 64 P C 1.288 178.622 177.300 0.057 0.000 1.153 64 P CA 1.529 64.681 63.100 0.087 0.000 0.798 64 P CB 0.031 31.765 31.700 0.056 0.000 0.796 65 A N -0.131 122.703 122.820 0.025 0.000 1.930 65 A HA -0.102 4.222 4.320 0.006 0.000 0.217 65 A C 2.238 179.816 177.584 -0.011 0.000 1.175 65 A CA 1.130 53.157 52.037 -0.017 0.000 0.627 65 A CB -1.459 17.502 19.000 -0.065 0.000 0.815 65 A HN 0.103 nan 8.150 nan 0.000 0.443 66 I N -0.274 120.314 120.570 0.030 0.000 2.163 66 I HA -0.210 3.964 4.170 0.006 0.000 0.240 66 I C 2.278 178.432 176.117 0.061 0.000 1.081 66 I CA 1.215 62.551 61.300 0.059 0.000 1.353 66 I CB -0.238 37.853 38.000 0.152 0.000 1.054 66 I HN 0.275 nan 8.210 nan 0.000 0.407 67 I N 0.324 120.969 120.570 0.124 0.000 2.208 67 I HA -0.335 3.838 4.170 0.006 0.000 0.245 67 I C 2.765 178.929 176.117 0.079 0.000 1.097 67 I CA 1.750 63.111 61.300 0.103 0.000 1.363 67 I CB -0.505 37.601 38.000 0.176 0.000 1.051 67 I HN 0.364 nan 8.210 nan 0.000 0.413 68 S N 1.467 117.208 115.700 0.069 0.000 2.356 68 S HA -0.212 4.262 4.470 0.006 0.000 0.223 68 S C 2.296 176.902 174.600 0.010 0.000 1.032 68 S CA 1.046 59.278 58.200 0.054 0.000 1.005 68 S CB -0.633 62.586 63.200 0.033 0.000 0.867 68 S HN 0.405 nan 8.310 nan 0.000 0.449 69 A N 2.603 125.407 122.820 -0.027 0.000 1.873 69 A HA 0.127 4.450 4.320 0.006 0.000 0.218 69 A C 2.652 180.178 177.584 -0.098 0.000 1.193 69 A CA 2.416 54.419 52.037 -0.056 0.000 0.629 69 A CB -1.757 17.203 19.000 -0.067 0.000 0.826 69 A HN 1.063 nan 8.150 nan 0.000 0.447 70 A N -0.588 122.112 122.820 -0.200 0.000 1.873 70 A HA -0.276 4.047 4.320 0.006 0.000 0.218 70 A C 1.994 179.421 177.584 -0.262 0.000 1.193 70 A CA 2.170 53.935 52.037 -0.455 0.000 0.629 70 A CB -0.774 17.586 19.000 -1.067 0.000 0.826 70 A HN 0.658 nan 8.150 nan 0.000 0.447 71 E N -0.338 119.858 120.200 -0.006 0.000 2.070 71 E HA -0.214 4.140 4.350 0.006 0.000 0.197 71 E C 1.854 178.534 176.600 0.134 0.000 1.004 71 E CA 1.761 58.329 56.400 0.280 0.000 0.805 71 E CB -0.308 29.542 29.700 0.250 0.000 0.744 71 E HN 0.831 nan 8.360 nan 0.000 0.451 72 I N -1.692 118.910 120.570 0.054 0.000 3.251 72 I HA 0.005 4.179 4.170 0.006 0.000 0.277 72 I C 1.434 177.565 176.117 0.023 0.000 1.268 72 I CA 1.189 62.510 61.300 0.035 0.000 1.449 72 I CB 0.064 38.075 38.000 0.017 0.000 1.083 72 I HN -0.024 nan 8.210 nan 0.000 0.464 73 T N -2.447 112.113 114.554 0.010 0.000 3.054 73 T HA 0.425 4.779 4.350 0.006 0.000 0.255 73 T C 1.504 176.216 174.700 0.019 0.000 1.035 73 T CA 0.228 62.330 62.100 0.004 0.000 0.941 73 T CB 0.321 69.179 68.868 -0.016 0.000 1.026 73 T HN 0.597 nan 8.240 nan 0.000 0.533 74 G N 1.758 110.587 108.800 0.049 0.000 2.168 74 G HA2 -0.096 3.867 3.960 0.006 0.000 0.257 74 G HA3 -0.096 3.867 3.960 0.006 0.000 0.257 74 G C 0.374 175.316 174.900 0.071 0.000 0.997 74 G CA -0.089 45.057 45.100 0.076 0.000 0.708 74 G HN 1.188 nan 8.290 nan 0.000 0.520 75 A N -0.596 122.231 122.820 0.011 0.000 2.531 75 A HA 0.558 4.882 4.320 0.006 0.000 0.236 75 A C 1.658 179.279 177.584 0.062 0.000 1.062 75 A CA 1.007 53.016 52.037 -0.047 0.000 0.760 75 A CB 0.659 19.539 19.000 -0.201 0.000 0.995 75 A HN 1.714 nan 8.150 nan 0.000 0.501 76 V N -1.208 118.751 119.914 0.076 0.000 3.605 76 V HA 0.648 4.771 4.120 0.006 0.000 0.284 76 V C 0.524 176.722 176.094 0.172 0.000 1.386 76 V CA 0.789 63.206 62.300 0.195 0.000 1.053 76 V CB -0.953 30.931 31.823 0.102 0.000 0.857 76 V HN 1.760 nan 8.190 nan 0.000 0.436 77 A N 0.176 123.022 122.820 0.043 0.000 2.606 77 A HA 0.864 5.187 4.320 0.006 0.000 0.293 77 A C -1.279 176.274 177.584 -0.051 0.000 1.082 77 A CA -0.614 51.435 52.037 0.021 0.000 0.685 77 A CB 1.744 20.750 19.000 0.010 0.000 1.284 77 A HN 0.263 nan 8.150 nan 0.000 0.408 78 I N 1.945 122.488 120.570 -0.046 0.000 2.466 78 I HA 0.298 4.471 4.170 0.006 0.000 0.289 78 I C -0.986 175.085 176.117 -0.076 0.000 1.026 78 I CA -0.501 60.780 61.300 -0.032 0.000 1.078 78 I CB 1.930 39.945 38.000 0.025 0.000 1.249 78 I HN 0.732 nan 8.210 nan 0.000 0.429 79 H N 8.583 127.591 119.070 -0.102 0.000 2.556 79 H HA 0.332 4.891 4.556 0.006 0.000 0.310 79 H C -2.033 173.235 175.328 -0.100 0.000 1.057 79 H CA -2.097 53.859 56.048 -0.154 0.000 1.264 79 H CB 2.186 31.867 29.762 -0.135 0.000 1.404 79 H HN 0.325 nan 8.280 nan 0.000 0.462 80 P HA 0.042 nan 4.420 nan 0.000 0.227 80 P C 0.909 178.302 177.300 0.154 0.000 1.161 80 P CA 1.298 64.493 63.100 0.159 0.000 0.788 80 P CB 0.973 32.767 31.700 0.156 0.000 0.822 81 G N 0.894 109.869 108.800 0.292 0.000 2.565 81 G HA2 -0.242 3.722 3.960 0.006 0.000 0.295 81 G HA3 -0.242 3.722 3.960 0.006 0.000 0.295 81 G C -0.625 174.327 174.900 0.086 0.000 1.165 81 G CA 0.563 45.683 45.100 0.033 0.000 0.977 81 G HN 0.511 nan 8.290 nan 0.000 0.546 82 Y N -1.304 119.043 120.300 0.079 0.000 2.534 82 Y HA 0.671 5.225 4.550 0.006 0.000 0.345 82 Y C 0.617 176.516 175.900 -0.002 0.000 1.031 82 Y CA -0.621 57.508 58.100 0.049 0.000 1.022 82 Y CB 1.076 39.552 38.460 0.028 0.000 1.292 82 Y HN 2.663 nan 8.280 nan 0.000 0.459 83 G N 2.021 110.948 108.800 0.212 0.000 2.804 83 G HA2 -0.065 3.899 3.960 0.006 0.000 0.230 83 G HA3 -0.065 3.899 3.960 0.006 0.000 0.230 83 G C -0.207 174.675 174.900 -0.030 0.000 1.386 83 G CA 0.308 45.400 45.100 -0.013 0.000 0.875 83 G HN 1.567 nan 8.290 nan 0.000 0.557 84 F N -2.673 117.300 119.950 0.039 0.000 2.183 84 F HA -0.313 4.217 4.527 0.006 0.000 0.318 84 F C 2.168 177.951 175.800 -0.029 0.000 1.131 84 F CA 1.705 59.699 58.000 -0.011 0.000 0.912 84 F CB -1.244 37.717 39.000 -0.065 0.000 4.134 84 F HN 0.538 nan 8.300 nan 0.000 0.137 85 L N 0.264 121.564 121.223 0.129 0.000 2.640 85 L HA 0.147 4.491 4.340 0.006 0.000 0.230 85 L C 1.644 178.658 176.870 0.241 0.000 1.123 85 L CA 0.618 55.466 54.840 0.013 0.000 0.900 85 L CB -0.202 41.517 42.059 -0.567 0.000 1.146 85 L HN 0.462 nan 8.230 nan 0.000 0.484 86 S N 0.481 116.336 115.700 0.258 0.000 2.402 86 S HA -0.208 4.266 4.470 0.006 0.000 0.233 86 S C 1.201 176.000 174.600 0.332 0.000 1.030 86 S CA 1.427 59.825 58.200 0.329 0.000 1.003 86 S CB -0.239 63.100 63.200 0.232 0.000 0.813 86 S HN 0.575 nan 8.310 nan 0.000 0.477 87 E N 0.745 121.080 120.200 0.224 0.000 2.789 87 E HA 0.199 4.553 4.350 0.006 0.000 0.208 87 E C -0.555 176.123 176.600 0.130 0.000 0.988 87 E CA -0.294 56.206 56.400 0.167 0.000 1.092 87 E CB 0.205 29.972 29.700 0.112 0.000 1.066 87 E HN 0.202 nan 8.360 nan 0.000 0.465 88 N N 1.292 120.088 118.700 0.161 0.000 2.589 88 N HA 0.165 4.908 4.740 0.006 0.000 0.232 88 N C 0.677 176.243 175.510 0.094 0.000 1.015 88 N CA -0.024 53.102 53.050 0.127 0.000 0.931 88 N CB 1.080 39.650 38.487 0.139 0.000 1.150 88 N HN 0.111 nan 8.380 nan 0.000 0.512 89 A N 4.253 127.094 122.820 0.035 0.000 1.927 89 A HA -0.241 4.083 4.320 0.006 0.000 0.220 89 A C 1.920 179.475 177.584 -0.049 0.000 1.185 89 A CA 1.414 53.432 52.037 -0.033 0.000 0.639 89 A CB -0.425 18.566 19.000 -0.016 0.000 0.820 89 A HN 0.799 nan 8.150 nan 0.000 0.451 90 N N -1.241 117.467 118.700 0.013 0.000 2.069 90 N HA -0.201 4.543 4.740 0.006 0.000 0.191 90 N C 1.680 177.209 175.510 0.031 0.000 1.031 90 N CA 1.806 54.868 53.050 0.020 0.000 0.852 90 N CB -0.475 38.042 38.487 0.051 0.000 1.018 90 N HN 0.651 nan 8.380 nan 0.000 0.423 91 F N 2.003 121.906 119.950 -0.078 0.000 2.095 91 F HA -0.192 4.338 4.527 0.006 0.000 0.298 91 F C 2.494 178.163 175.800 -0.218 0.000 1.104 91 F CA 1.443 59.396 58.000 -0.080 0.000 1.232 91 F CB -0.120 38.877 39.000 -0.006 0.000 0.987 91 F HN -0.002 nan 8.300 nan 0.000 0.475 92 A N 0.003 122.474 122.820 -0.582 0.000 1.883 92 A HA -0.257 4.067 4.320 0.006 0.000 0.217 92 A C 2.051 179.274 177.584 -0.602 0.000 1.186 92 A CA 2.033 53.393 52.037 -1.128 0.000 0.624 92 A CB -1.039 17.251 19.000 -1.184 0.000 0.822 92 A HN 0.565 nan 8.150 nan 0.000 0.444 93 E N -0.671 119.323 120.200 -0.343 0.000 2.023 93 E HA -0.270 4.084 4.350 0.006 0.000 0.196 93 E C 2.326 178.821 176.600 -0.175 0.000 1.003 93 E CA 1.756 58.034 56.400 -0.202 0.000 0.809 93 E CB -0.181 29.447 29.700 -0.120 0.000 0.755 93 E HN 0.744 nan 8.360 nan 0.000 0.449 94 Q N -0.216 119.487 119.800 -0.161 0.000 2.181 94 Q HA -0.155 4.189 4.340 0.006 0.000 0.205 94 Q C 2.205 178.136 176.000 -0.115 0.000 0.980 94 Q CA 1.248 56.989 55.803 -0.103 0.000 0.862 94 Q CB 0.056 28.774 28.738 -0.034 0.000 0.905 94 Q HN 0.150 nan 8.270 nan 0.000 0.429 95 V N 0.776 120.544 119.914 -0.244 0.000 2.261 95 V HA -0.273 3.851 4.120 0.006 0.000 0.246 95 V C 1.927 178.018 176.094 -0.004 0.000 1.047 95 V CA 2.011 64.242 62.300 -0.116 0.000 1.015 95 V CB -0.373 31.295 31.823 -0.258 0.000 0.642 95 V HN 0.362 nan 8.190 nan 0.000 0.446 96 E N -0.404 119.749 120.200 -0.078 0.000 2.047 96 E HA -0.216 4.138 4.350 0.006 0.000 0.191 96 E C 2.479 179.030 176.600 -0.082 0.000 0.987 96 E CA 1.075 57.443 56.400 -0.055 0.000 0.799 96 E CB -0.198 29.462 29.700 -0.067 0.000 0.752 96 E HN 0.353 nan 8.360 nan 0.000 0.449 97 R N 0.351 120.798 120.500 -0.088 0.000 2.119 97 R HA -0.128 4.215 4.340 0.006 0.000 0.246 97 R C 1.950 178.190 176.300 -0.099 0.000 1.146 97 R CA 1.518 57.569 56.100 -0.082 0.000 0.962 97 R CB -0.177 30.082 30.300 -0.068 0.000 0.863 97 R HN -0.012 nan 8.270 nan 0.000 0.442 98 S N -0.892 114.752 115.700 -0.093 0.000 2.720 98 S HA 0.097 4.571 4.470 0.006 0.000 0.222 98 S C 0.600 174.948 174.600 -0.420 0.000 0.958 98 S CA 0.708 58.822 58.200 -0.143 0.000 0.943 98 S CB 0.534 63.747 63.200 0.021 0.000 0.779 98 S HN 0.715 nan 8.310 nan 0.000 0.526 99 G N 0.910 109.499 108.800 -0.351 0.000 2.171 99 G HA2 -0.230 3.733 3.960 0.006 0.000 0.238 99 G HA3 -0.230 3.733 3.960 0.006 0.000 0.238 99 G C -0.283 174.263 174.900 -0.591 0.000 1.039 99 G CA -0.322 44.505 45.100 -0.456 0.000 0.759 99 G HN 0.388 nan 8.290 nan 0.000 0.501 100 F N -0.632 119.299 119.950 -0.031 0.000 2.563 100 F HA 0.647 5.177 4.527 0.006 0.000 0.316 100 F C 0.700 176.494 175.800 -0.010 0.000 1.076 100 F CA -1.776 56.212 58.000 -0.020 0.000 0.921 100 F CB 1.338 40.327 39.000 -0.018 0.000 1.209 100 F HN -0.012 nan 8.300 nan 0.000 0.462 101 I N 2.991 123.689 120.570 0.214 0.000 2.471 101 I HA 0.057 4.231 4.170 0.006 0.000 0.286 101 I C -0.631 175.559 176.117 0.123 0.000 1.079 101 I CA -0.147 61.225 61.300 0.119 0.000 1.398 101 I CB 0.517 38.554 38.000 0.062 0.000 1.403 101 I HN 0.439 nan 8.210 nan 0.000 0.530 102 F N 8.088 128.010 119.950 -0.046 0.000 2.361 102 F HA 0.446 4.977 4.527 0.006 0.000 0.364 102 F C 0.218 175.959 175.800 -0.099 0.000 1.120 102 F CA -0.643 57.306 58.000 -0.085 0.000 1.102 102 F CB 0.511 39.440 39.000 -0.119 0.000 1.183 102 F HN 0.264 nan 8.300 nan 0.000 0.476 103 I N 7.204 127.424 120.570 -0.583 0.000 2.577 103 I HA 0.333 4.506 4.170 0.006 0.000 0.299 103 I C 0.712 176.394 176.117 -0.725 0.000 1.157 103 I CA 0.784 61.756 61.300 -0.547 0.000 1.418 103 I CB -0.923 36.722 38.000 -0.592 0.000 1.467 103 I HN 0.816 nan 8.210 nan 0.000 0.624 104 G N 7.230 115.814 108.800 -0.360 0.000 2.327 104 G HA2 0.226 4.189 3.960 0.006 0.000 0.291 104 G HA3 0.226 4.189 3.960 0.006 0.000 0.291 104 G C -3.304 171.629 174.900 0.055 0.000 1.290 104 G CA -0.763 44.244 45.100 -0.155 0.000 0.857 104 G HN 0.195 nan 8.290 nan 0.000 0.520 105 P HA 0.350 nan 4.420 nan 0.000 0.279 105 P C -0.540 176.804 177.300 0.074 0.000 1.276 105 P CA -0.350 62.735 63.100 -0.025 0.000 0.801 105 P CB 0.953 32.648 31.700 -0.007 0.000 1.127 106 K N -0.019 120.387 120.400 0.010 0.000 2.355 106 K HA 0.196 4.520 4.320 0.006 0.000 0.270 106 K C 1.585 178.171 176.600 -0.023 0.000 1.003 106 K CA -0.012 56.271 56.287 -0.008 0.000 0.957 106 K CB 0.193 32.689 32.500 -0.006 0.000 0.939 106 K HN 0.389 nan 8.250 nan 0.000 0.482 107 A N 3.727 126.498 122.820 -0.082 0.000 1.948 107 A HA -0.264 4.059 4.320 0.006 0.000 0.220 107 A C 1.722 179.287 177.584 -0.033 0.000 1.177 107 A CA 1.920 53.900 52.037 -0.095 0.000 0.636 107 A CB -0.494 18.435 19.000 -0.119 0.000 0.815 107 A HN 0.912 nan 8.150 nan 0.000 0.449 108 E N -0.875 119.316 120.200 -0.015 0.000 2.051 108 E HA -0.134 4.219 4.350 0.006 0.000 0.192 108 E C 1.904 178.521 176.600 0.028 0.000 0.991 108 E CA 1.547 57.950 56.400 0.005 0.000 0.799 108 E CB -0.664 29.040 29.700 0.007 0.000 0.748 108 E HN 0.524 nan 8.360 nan 0.000 0.449 109 T N 1.523 116.107 114.554 0.051 0.000 2.915 109 T HA -0.054 4.299 4.350 0.006 0.000 0.269 109 T C 1.920 176.680 174.700 0.099 0.000 1.071 109 T CA 0.766 62.923 62.100 0.096 0.000 1.132 109 T CB -0.150 68.816 68.868 0.162 0.000 0.878 109 T HN 0.141 nan 8.240 nan 0.000 0.479 110 I N 0.609 121.227 120.570 0.080 0.000 2.353 110 I HA -0.116 4.058 4.170 0.006 0.000 0.248 110 I C 2.772 178.918 176.117 0.049 0.000 1.119 110 I CA 1.045 62.391 61.300 0.075 0.000 1.417 110 I CB -0.337 37.698 38.000 0.058 0.000 1.078 110 I HN 0.138 nan 8.210 nan 0.000 0.421 111 R N 0.562 121.082 120.500 0.033 0.000 2.062 111 R HA -0.136 4.208 4.340 0.006 0.000 0.231 111 R C 2.330 178.646 176.300 0.027 0.000 1.136 111 R CA 1.107 57.222 56.100 0.025 0.000 0.948 111 R CB -0.913 29.395 30.300 0.015 0.000 0.845 111 R HN 0.220 nan 8.270 nan 0.000 0.430 112 L N 1.084 122.325 121.223 0.030 0.000 1.978 112 L HA -0.205 4.138 4.340 0.006 0.000 0.218 112 L C 2.104 178.992 176.870 0.030 0.000 1.075 112 L CA 1.926 56.783 54.840 0.028 0.000 0.767 112 L CB -0.329 41.750 42.059 0.033 0.000 0.890 112 L HN 0.120 nan 8.230 nan 0.000 0.434 113 M N -0.805 118.815 119.600 0.033 0.000 2.659 113 M HA 0.097 4.581 4.480 0.006 0.000 0.243 113 M C 1.936 178.255 176.300 0.032 0.000 1.111 113 M CA 0.954 56.272 55.300 0.030 0.000 1.070 113 M CB -1.722 30.876 32.600 -0.004 0.000 1.525 113 M HN 0.423 nan 8.290 nan 0.000 0.517 114 G N -0.792 108.027 108.800 0.031 0.000 2.595 114 G HA2 -0.073 3.891 3.960 0.006 0.000 0.213 114 G HA3 -0.073 3.891 3.960 0.006 0.000 0.213 114 G C 0.340 175.253 174.900 0.022 0.000 1.141 114 G CA -0.114 45.001 45.100 0.025 0.000 0.806 114 G HN 0.358 nan 8.290 nan 0.000 0.530 115 D N 0.660 121.075 120.400 0.024 0.000 2.336 115 D HA 0.192 4.836 4.640 0.006 0.000 0.249 115 D C 1.149 177.467 176.300 0.030 0.000 1.213 115 D CA -0.180 53.833 54.000 0.021 0.000 0.870 115 D CB 1.112 41.922 40.800 0.017 0.000 1.076 115 D HN 0.095 nan 8.370 nan 0.000 0.483 116 K N 2.003 122.418 120.400 0.026 0.000 2.360 116 K HA -0.065 4.259 4.320 0.006 0.000 0.201 116 K C 1.667 178.294 176.600 0.045 0.000 1.046 116 K CA 0.676 56.986 56.287 0.038 0.000 0.945 116 K CB 0.321 32.832 32.500 0.018 0.000 0.750 116 K HN 0.270 nan 8.250 nan 0.000 0.464 117 V N -0.278 119.651 119.914 0.025 0.000 2.575 117 V HA -0.098 4.025 4.120 0.006 0.000 0.242 117 V C 1.934 178.040 176.094 0.019 0.000 1.045 117 V CA 1.246 63.556 62.300 0.017 0.000 1.065 117 V CB -0.042 31.779 31.823 -0.002 0.000 0.717 117 V HN 0.156 nan 8.190 nan 0.000 0.467 118 S N 1.168 116.878 115.700 0.017 0.000 2.370 118 S HA -0.209 4.265 4.470 0.006 0.000 0.226 118 S C 2.220 176.826 174.600 0.010 0.000 1.033 118 S CA 1.713 59.920 58.200 0.011 0.000 1.011 118 S CB -0.494 62.714 63.200 0.013 0.000 0.852 118 S HN 0.650 nan 8.310 nan 0.000 0.457 119 A N 1.733 124.571 122.820 0.031 0.000 1.897 119 A HA 0.002 4.326 4.320 0.006 0.000 0.215 119 A C 2.032 179.608 177.584 -0.013 0.000 1.181 119 A CA 0.942 52.999 52.037 0.033 0.000 0.620 119 A CB -0.559 18.515 19.000 0.124 0.000 0.821 119 A HN 0.388 nan 8.150 nan 0.000 0.443 120 I N 0.197 120.803 120.570 0.060 0.000 2.099 120 I HA -0.306 3.868 4.170 0.006 0.000 0.239 120 I C 3.007 179.105 176.117 -0.032 0.000 1.066 120 I CA 1.566 62.893 61.300 0.045 0.000 1.324 120 I CB -1.750 36.305 38.000 0.092 0.000 1.037 120 I HN 0.379 nan 8.210 nan 0.000 0.401 121 A N 1.449 124.261 122.820 -0.013 0.000 1.859 121 A HA -0.315 4.008 4.320 0.006 0.000 0.218 121 A C 2.588 180.143 177.584 -0.048 0.000 1.242 121 A CA 3.266 55.290 52.037 -0.023 0.000 0.661 121 A CB -1.360 17.633 19.000 -0.011 0.000 0.842 121 A HN 0.487 nan 8.150 nan 0.000 0.455 122 A N -1.861 120.928 122.820 -0.052 0.000 1.997 122 A HA -0.215 4.109 4.320 0.006 0.000 0.221 122 A C 2.188 179.706 177.584 -0.110 0.000 1.172 122 A CA 2.362 54.362 52.037 -0.061 0.000 0.645 122 A CB -0.523 18.451 19.000 -0.042 0.000 0.813 122 A HN 0.521 nan 8.150 nan 0.000 0.454 123 M N -0.959 118.522 119.600 -0.199 0.000 2.156 123 M HA -0.050 4.433 4.480 0.006 0.000 0.264 123 M C 1.994 178.183 176.300 -0.185 0.000 1.067 123 M CA 1.494 56.610 55.300 -0.306 0.000 1.131 123 M CB -1.047 31.109 32.600 -0.739 0.000 1.368 123 M HN 0.405 nan 8.290 nan 0.000 0.416 124 K N 0.206 120.534 120.400 -0.119 0.000 2.103 124 K HA -0.166 4.157 4.320 0.006 0.000 0.207 124 K C 2.011 178.582 176.600 -0.049 0.000 1.048 124 K CA 1.093 57.346 56.287 -0.056 0.000 0.930 124 K CB 0.098 32.585 32.500 -0.022 0.000 0.716 124 K HN 0.209 nan 8.250 nan 0.000 0.444 125 K N 0.193 120.562 120.400 -0.053 0.000 1.991 125 K HA -0.030 4.293 4.320 0.006 0.000 0.207 125 K C 2.173 178.743 176.600 -0.050 0.000 1.045 125 K CA 1.317 57.580 56.287 -0.040 0.000 0.937 125 K CB -0.683 31.797 32.500 -0.032 0.000 0.720 125 K HN 0.087 nan 8.250 nan 0.000 0.438 126 A N 0.949 123.730 122.820 -0.065 0.000 2.139 126 A HA -0.033 4.290 4.320 0.006 0.000 0.221 126 A C 1.484 179.013 177.584 -0.091 0.000 1.159 126 A CA 1.876 53.868 52.037 -0.075 0.000 0.662 126 A CB -0.907 18.041 19.000 -0.086 0.000 0.796 126 A HN 0.556 nan 8.150 nan 0.000 0.463 127 G N -2.197 106.553 108.800 -0.084 0.000 2.171 127 G HA2 -0.121 3.843 3.960 0.006 0.000 0.238 127 G HA3 -0.121 3.843 3.960 0.006 0.000 0.238 127 G C -0.020 174.825 174.900 -0.091 0.000 1.039 127 G CA 0.046 45.100 45.100 -0.077 0.000 0.759 127 G HN 0.858 nan 8.290 nan 0.000 0.501 128 V N 2.627 122.480 119.914 -0.102 0.000 2.432 128 V HA 0.404 4.528 4.120 0.006 0.000 0.271 128 V C -1.163 174.952 176.094 0.035 0.000 1.046 128 V CA -1.391 60.868 62.300 -0.067 0.000 0.945 128 V CB 1.446 33.178 31.823 -0.153 0.000 0.992 128 V HN 0.291 nan 8.190 nan 0.000 0.471 129 P HA 0.126 nan 4.420 nan 0.000 0.262 129 P C -0.478 176.967 177.300 0.243 0.000 1.199 129 P CA 0.120 63.316 63.100 0.159 0.000 0.763 129 P CB 0.460 32.261 31.700 0.168 0.000 0.790 130 C N 2.576 122.003 119.300 0.210 0.000 2.857 130 C HA 0.432 4.895 4.460 0.006 0.000 0.397 130 C C 0.539 175.751 174.990 0.369 0.000 1.558 130 C CA -0.712 58.488 59.018 0.304 0.000 1.694 130 C CB 1.436 29.319 27.740 0.239 0.000 2.120 130 C HN 0.326 nan 8.230 nan 0.000 0.475 131 V N 3.232 123.359 119.914 0.355 0.000 2.479 131 V HA 0.165 4.288 4.120 0.006 0.000 0.281 131 V C -2.000 174.237 176.094 0.239 0.000 1.031 131 V CA -0.466 62.030 62.300 0.326 0.000 1.038 131 V CB -0.072 31.864 31.823 0.189 0.000 0.981 131 V HN 0.726 nan 8.190 nan 0.000 0.478 132 P HA 0.330 nan 4.420 nan 0.000 0.265 132 P C 0.227 177.599 177.300 0.120 0.000 1.193 132 P CA 0.484 63.676 63.100 0.154 0.000 0.765 132 P CB 0.694 32.480 31.700 0.144 0.000 0.823 133 G N 0.195 109.059 108.800 0.107 0.000 2.788 133 G HA2 0.391 4.354 3.960 0.006 0.000 0.293 133 G HA3 0.391 4.354 3.960 0.006 0.000 0.293 133 G C 0.572 175.530 174.900 0.096 0.000 1.392 133 G CA -0.289 44.882 45.100 0.119 0.000 0.810 133 G HN 0.335 nan 8.290 nan 0.000 0.508 134 S N -0.795 114.979 115.700 0.123 0.000 2.522 134 S HA 0.064 4.537 4.470 0.006 0.000 0.227 134 S C 0.286 174.932 174.600 0.077 0.000 0.986 134 S CA 1.032 59.287 58.200 0.092 0.000 0.929 134 S CB -0.146 63.121 63.200 0.112 0.000 0.769 134 S HN 0.598 nan 8.310 nan 0.000 0.529 135 D N 1.607 122.055 120.400 0.081 0.000 2.812 135 D HA 0.083 4.727 4.640 0.006 0.000 0.237 135 D C 0.476 176.792 176.300 0.027 0.000 1.162 135 D CA 1.712 55.739 54.000 0.044 0.000 0.740 135 D CB -1.674 39.148 40.800 0.038 0.000 1.000 135 D HN 1.076 nan 8.370 nan 0.000 0.416 136 G N -1.286 107.524 108.800 0.015 0.000 2.515 136 G HA2 0.112 4.075 3.960 0.006 0.000 0.686 136 G HA3 0.112 4.075 3.960 0.006 0.000 0.686 136 G C -2.778 172.152 174.900 0.050 0.000 1.274 136 G CA -0.855 44.246 45.100 0.002 0.000 0.874 136 G HN 0.163 nan 8.290 nan 0.000 0.631 137 P HA 0.318 nan 4.420 nan 0.000 0.270 137 P C 0.011 177.361 177.300 0.084 0.000 1.216 137 P CA -0.346 62.808 63.100 0.090 0.000 0.788 137 P CB 0.348 32.082 31.700 0.057 0.000 0.883 138 L N 1.130 122.406 121.223 0.088 0.000 2.292 138 L HA 0.417 4.760 4.340 0.006 0.000 0.284 138 L C 1.290 178.186 176.870 0.044 0.000 1.065 138 L CA 0.188 55.065 54.840 0.061 0.000 0.806 138 L CB -0.032 42.060 42.059 0.054 0.000 1.175 138 L HN 0.447 nan 8.230 nan 0.000 0.431 139 G N 1.773 110.593 108.800 0.035 0.000 2.583 139 G HA2 0.105 4.069 3.960 0.006 0.000 0.275 139 G HA3 0.105 4.069 3.960 0.006 0.000 0.275 139 G C -0.023 174.892 174.900 0.025 0.000 1.342 139 G CA -0.223 44.893 45.100 0.027 0.000 1.030 139 G HN 0.707 nan 8.290 nan 0.000 0.520 140 D N -1.330 119.082 120.400 0.020 0.000 2.363 140 D HA 0.107 4.751 4.640 0.006 0.000 0.214 140 D C -0.023 176.288 176.300 0.017 0.000 1.093 140 D CA -0.177 53.834 54.000 0.018 0.000 0.837 140 D CB 0.388 41.197 40.800 0.016 0.000 0.948 140 D HN 0.211 nan 8.370 nan 0.000 0.507 141 D N 0.935 121.345 120.400 0.018 0.000 2.383 141 D HA -0.022 4.622 4.640 0.006 0.000 0.245 141 D C 0.990 177.302 176.300 0.019 0.000 1.263 141 D CA -0.152 53.859 54.000 0.017 0.000 0.936 141 D CB 0.696 41.506 40.800 0.017 0.000 1.053 141 D HN -0.097 nan 8.370 nan 0.000 0.507 142 M N 2.751 122.363 119.600 0.020 0.000 2.630 142 M HA -0.055 4.428 4.480 0.006 0.000 0.254 142 M C 0.969 177.284 176.300 0.026 0.000 1.092 142 M CA 0.752 56.066 55.300 0.023 0.000 1.087 142 M CB 0.004 32.617 32.600 0.022 0.000 1.453 142 M HN 0.259 nan 8.290 nan 0.000 0.509 143 D N -0.177 120.237 120.400 0.022 0.000 2.103 143 D HA -0.129 4.515 4.640 0.006 0.000 0.199 143 D C 1.814 178.128 176.300 0.023 0.000 0.978 143 D CA 0.999 55.012 54.000 0.023 0.000 0.829 143 D CB 0.049 40.860 40.800 0.019 0.000 0.981 143 D HN 0.271 nan 8.370 nan 0.000 0.464 144 K N 0.698 121.110 120.400 0.020 0.000 2.167 144 K HA 0.046 4.369 4.320 0.006 0.000 0.203 144 K C 1.679 178.288 176.600 0.016 0.000 1.052 144 K CA 0.192 56.490 56.287 0.018 0.000 0.956 144 K CB -0.245 32.265 32.500 0.017 0.000 0.735 144 K HN 0.210 nan 8.250 nan 0.000 0.451 145 N N 0.488 119.200 118.700 0.020 0.000 2.289 145 N HA -0.137 4.606 4.740 0.006 0.000 0.184 145 N C 1.908 177.429 175.510 0.018 0.000 1.016 145 N CA 0.611 53.672 53.050 0.018 0.000 0.872 145 N CB 0.041 38.542 38.487 0.024 0.000 0.973 145 N HN 0.114 nan 8.380 nan 0.000 0.433 146 R N 0.773 121.294 120.500 0.034 0.000 2.075 146 R HA 0.072 4.416 4.340 0.006 0.000 0.226 146 R C 2.263 178.578 176.300 0.025 0.000 1.114 146 R CA 0.915 57.049 56.100 0.056 0.000 0.972 146 R CB -0.102 30.240 30.300 0.070 0.000 0.869 146 R HN 0.133 nan 8.270 nan 0.000 0.437 147 A N 1.247 124.077 122.820 0.018 0.000 1.892 147 A HA -0.200 4.123 4.320 0.006 0.000 0.218 147 A C 2.069 179.645 177.584 -0.015 0.000 1.188 147 A CA 1.580 53.621 52.037 0.008 0.000 0.631 147 A CB -0.586 18.421 19.000 0.012 0.000 0.822 147 A HN 0.308 nan 8.150 nan 0.000 0.447 148 I N -0.404 120.153 120.570 -0.022 0.000 2.113 148 I HA -0.256 3.917 4.170 0.006 0.000 0.238 148 I C 3.023 179.078 176.117 -0.102 0.000 1.070 148 I CA 1.076 62.353 61.300 -0.038 0.000 1.332 148 I CB -0.648 37.341 38.000 -0.018 0.000 1.044 148 I HN 0.341 nan 8.210 nan 0.000 0.402 149 A N 1.092 123.809 122.820 -0.172 0.000 1.915 149 A HA -0.351 3.972 4.320 0.006 0.000 0.220 149 A C 2.400 179.690 177.584 -0.490 0.000 1.198 149 A CA 2.604 54.388 52.037 -0.421 0.000 0.647 149 A CB -0.842 17.798 19.000 -0.601 0.000 0.825 149 A HN 0.462 nan 8.150 nan 0.000 0.456 150 K N -0.701 119.536 120.400 -0.272 0.000 2.152 150 K HA -0.167 4.157 4.320 0.006 0.000 0.206 150 K C 2.232 178.789 176.600 -0.071 0.000 1.048 150 K CA 1.564 57.786 56.287 -0.108 0.000 0.933 150 K CB -0.165 32.342 32.500 0.012 0.000 0.721 150 K HN 0.479 nan 8.250 nan 0.000 0.447 151 R N 0.435 120.894 120.500 -0.069 0.000 2.210 151 R HA 0.058 4.401 4.340 0.006 0.000 0.203 151 R C 1.843 178.127 176.300 -0.026 0.000 1.010 151 R CA 0.514 56.598 56.100 -0.027 0.000 1.008 151 R CB 0.087 30.379 30.300 -0.013 0.000 0.923 151 R HN 0.255 nan 8.270 nan 0.000 0.469 152 I N 0.149 120.680 120.570 -0.066 0.000 3.030 152 I HA 0.111 4.284 4.170 0.006 0.000 0.270 152 I C 0.510 176.606 176.117 -0.034 0.000 1.211 152 I CA 0.668 61.944 61.300 -0.040 0.000 1.479 152 I CB 0.208 38.167 38.000 -0.068 0.000 1.105 152 I HN 0.311 nan 8.210 nan 0.000 0.447 153 G N 1.055 109.808 108.800 -0.080 0.000 3.445 153 G HA2 -0.251 3.712 3.960 0.006 0.000 0.680 153 G HA3 -0.251 3.712 3.960 0.006 0.000 0.680 153 G C -0.562 174.332 174.900 -0.011 0.000 0.972 153 G CA -0.842 44.248 45.100 -0.017 0.000 0.798 153 G HN 0.081 nan 8.290 nan 0.000 0.461 154 Y N 2.896 123.216 120.300 0.032 0.000 2.457 154 Y HA 0.383 4.937 4.550 0.006 0.000 0.341 154 Y C -0.377 175.549 175.900 0.043 0.000 1.240 154 Y CA -0.395 57.724 58.100 0.032 0.000 1.437 154 Y CB 0.302 38.774 38.460 0.019 0.000 1.328 154 Y HN 0.561 nan 8.280 nan 0.000 0.588 155 P HA 0.279 nan 4.420 nan 0.000 0.274 155 P C -0.960 176.453 177.300 0.188 0.000 1.246 155 P CA -0.306 62.957 63.100 0.271 0.000 0.795 155 P CB 1.273 33.118 31.700 0.241 0.000 1.006 156 V N -1.312 118.684 119.914 0.137 0.000 3.141 156 V HA 0.713 4.837 4.120 0.006 0.000 0.312 156 V C -0.804 175.269 176.094 -0.035 0.000 1.157 156 V CA -1.141 61.179 62.300 0.033 0.000 1.041 156 V CB 2.102 33.878 31.823 -0.079 0.000 1.071 156 V HN 0.536 nan 8.190 nan 0.000 0.441 157 I N 2.243 122.773 120.570 -0.066 0.000 2.478 157 I HA 0.535 4.709 4.170 0.006 0.000 0.287 157 I C -1.190 174.826 176.117 -0.167 0.000 1.042 157 I CA -0.813 60.398 61.300 -0.147 0.000 1.067 157 I CB 1.502 39.430 38.000 -0.119 0.000 1.233 157 I HN 0.607 nan 8.210 nan 0.000 0.431 158 I N 7.387 127.858 120.570 -0.165 0.000 2.395 158 I HA 0.351 4.524 4.170 0.006 0.000 0.289 158 I C -0.033 175.942 176.117 -0.237 0.000 1.023 158 I CA -0.278 60.911 61.300 -0.184 0.000 1.350 158 I CB 0.770 38.705 38.000 -0.109 0.000 1.409 158 I HN 0.524 nan 8.210 nan 0.000 0.507 159 K N 4.304 124.467 120.400 -0.396 0.000 2.397 159 K HA 0.677 5.001 4.320 0.006 0.000 0.253 159 K C -0.567 175.906 176.600 -0.212 0.000 0.932 159 K CA -0.686 55.349 56.287 -0.419 0.000 0.795 159 K CB 2.659 34.658 32.500 -0.836 0.000 1.159 159 K HN 0.725 nan 8.250 nan 0.000 0.424 160 A N 1.540 124.351 122.820 -0.016 0.000 2.407 160 A HA 0.145 4.469 4.320 0.006 0.000 0.248 160 A C 0.776 178.505 177.584 0.241 0.000 1.082 160 A CA -0.049 52.050 52.037 0.103 0.000 0.785 160 A CB 0.470 19.513 19.000 0.072 0.000 1.020 160 A HN 0.787 nan 8.150 nan 0.000 0.489 161 S N 1.355 117.202 115.700 0.246 0.000 2.425 161 S HA 0.077 4.550 4.470 0.006 0.000 0.225 161 S C 1.313 176.001 174.600 0.146 0.000 1.024 161 S CA 0.991 59.315 58.200 0.207 0.000 0.951 161 S CB 0.184 63.457 63.200 0.121 0.000 0.796 161 S HN 1.082 nan 8.310 nan 0.000 0.498 162 G N 1.142 110.037 108.800 0.158 0.000 4.699 162 G HA2 0.582 4.545 3.960 0.006 0.000 0.308 162 G HA3 0.582 4.545 3.960 0.006 0.000 0.308 162 G C 0.018 174.992 174.900 0.123 0.000 1.399 162 G CA -0.212 45.003 45.100 0.190 0.000 1.221 162 G HN 0.441 nan 8.290 nan 0.000 0.596 163 G N -0.832 108.005 108.800 0.062 0.000 3.140 163 G HA2 0.819 4.782 3.960 0.006 0.000 0.271 163 G HA3 0.819 4.782 3.960 0.006 0.000 0.271 163 G C -0.365 174.518 174.900 -0.028 0.000 1.370 163 G CA -0.339 44.770 45.100 0.015 0.000 1.014 163 G HN 0.645 nan 8.290 nan 0.000 0.541 170 R N 2.853 123.279 120.500 -0.124 0.000 2.533 170 R HA 0.721 5.064 4.340 0.006 0.000 0.288 170 R C -1.557 174.624 176.300 -0.200 0.000 1.039 170 R CA -0.615 55.401 56.100 -0.140 0.000 0.909 170 R CB 2.209 32.451 30.300 -0.097 0.000 1.195 170 R HN 0.518 nan 8.270 nan 0.000 0.438 171 V N 4.377 124.119 119.914 -0.287 0.000 2.614 171 V HA 0.232 4.356 4.120 0.006 0.000 0.291 171 V C -0.049 175.935 176.094 -0.184 0.000 1.049 171 V CA -0.285 61.790 62.300 -0.376 0.000 1.038 171 V CB 1.489 32.927 31.823 -0.642 0.000 0.980 171 V HN 0.418 nan 8.190 nan 0.000 0.481 172 V N 6.246 126.103 119.914 -0.095 0.000 2.444 172 V HA 0.418 4.542 4.120 0.006 0.000 0.294 172 V C 0.760 176.900 176.094 0.076 0.000 1.022 172 V CA -0.744 61.562 62.300 0.009 0.000 0.850 172 V CB 1.667 33.550 31.823 0.100 0.000 0.992 172 V HN 0.956 nan 8.190 nan 0.000 0.426 173 R N 2.969 123.457 120.500 -0.020 0.000 2.480 173 R HA 0.558 4.902 4.340 0.006 0.000 0.277 173 R C 0.245 176.375 176.300 -0.282 0.000 1.008 173 R CA 0.441 56.516 56.100 -0.042 0.000 1.090 173 R CB 0.698 30.977 30.300 -0.034 0.000 1.234 173 R HN 0.896 nan 8.270 nan 0.000 0.549 174 G N 0.166 108.581 108.800 -0.642 0.000 2.358 174 G HA2 -0.055 3.909 3.960 0.006 0.000 0.303 174 G HA3 -0.055 3.909 3.960 0.006 0.000 0.303 174 G C -0.755 173.626 174.900 -0.864 0.000 1.537 174 G CA -0.604 43.757 45.100 -1.232 0.000 0.928 174 G HN -0.074 nan 8.290 nan 0.000 0.656 175 D N 0.322 120.299 120.400 -0.705 0.000 2.154 175 D HA -0.242 4.401 4.640 0.006 0.000 0.190 175 D C 2.840 179.086 176.300 -0.090 0.000 1.003 175 D CA 2.294 56.216 54.000 -0.130 0.000 0.849 175 D CB -0.331 40.453 40.800 -0.027 0.000 0.942 175 D HN 0.787 nan 8.370 nan 0.000 0.446 176 A N 1.122 123.868 122.820 -0.123 0.000 2.054 176 A HA -0.245 4.078 4.320 0.006 0.000 0.223 176 A C 1.766 179.312 177.584 -0.062 0.000 1.169 176 A CA 2.248 54.238 52.037 -0.079 0.000 0.655 176 A CB -0.503 18.446 19.000 -0.085 0.000 0.812 176 A HN 0.582 nan 8.150 nan 0.000 0.462 177 E N -1.283 118.870 120.200 -0.078 0.000 2.603 177 E HA 0.242 4.595 4.350 0.006 0.000 0.211 177 E C 1.257 177.850 176.600 -0.011 0.000 0.995 177 E CA -0.139 56.233 56.400 -0.046 0.000 0.990 177 E CB -0.144 29.521 29.700 -0.058 0.000 1.036 177 E HN 0.356 nan 8.360 nan 0.000 0.475 178 L N 1.556 122.791 121.223 0.021 0.000 2.023 178 L HA 0.031 4.374 4.340 0.006 0.000 0.205 178 L C 2.439 179.331 176.870 0.037 0.000 1.073 178 L CA 2.176 57.057 54.840 0.068 0.000 0.745 178 L CB -0.449 41.695 42.059 0.142 0.000 0.900 178 L HN 0.244 nan 8.230 nan 0.000 0.435 179 A N -0.400 122.437 122.820 0.027 0.000 1.845 179 A HA -0.246 4.078 4.320 0.006 0.000 0.215 179 A C 2.117 179.706 177.584 0.008 0.000 1.195 179 A CA 1.842 53.890 52.037 0.018 0.000 0.616 179 A CB -0.849 18.160 19.000 0.015 0.000 0.832 179 A HN 0.681 nan 8.150 nan 0.000 0.443 180 Q N 0.033 119.834 119.800 0.002 0.000 2.112 180 Q HA -0.175 4.168 4.340 0.006 0.000 0.206 180 Q C 2.182 178.177 176.000 -0.008 0.000 0.987 180 Q CA 2.102 57.902 55.803 -0.005 0.000 0.858 180 Q CB -0.996 27.736 28.738 -0.010 0.000 0.905 180 Q HN 0.494 nan 8.270 nan 0.000 0.420 181 S N 1.626 117.321 115.700 -0.009 0.000 2.343 181 S HA -0.058 4.415 4.470 0.006 0.000 0.219 181 S C 2.163 176.753 174.600 -0.016 0.000 1.033 181 S CA 1.116 59.305 58.200 -0.017 0.000 1.014 181 S CB -0.399 62.789 63.200 -0.020 0.000 0.915 181 S HN 0.315 nan 8.310 nan 0.000 0.435 182 I N 1.191 121.757 120.570 -0.007 0.000 2.147 182 I HA -0.302 3.872 4.170 0.006 0.000 0.245 182 I C 2.663 178.778 176.117 -0.004 0.000 1.059 182 I CA 1.407 62.703 61.300 -0.006 0.000 1.320 182 I CB -0.430 37.574 38.000 0.006 0.000 1.021 182 I HN 0.293 nan 8.210 nan 0.000 0.415 183 S N 0.183 115.882 115.700 -0.001 0.000 2.355 183 S HA -0.145 4.329 4.470 0.006 0.000 0.222 183 S C 2.052 176.650 174.600 -0.003 0.000 1.031 183 S CA 1.263 59.463 58.200 0.000 0.000 0.993 183 S CB -0.099 63.101 63.200 0.001 0.000 0.859 183 S HN 0.292 nan 8.310 nan 0.000 0.453 184 M N 0.671 120.266 119.600 -0.009 0.000 2.213 184 M HA -0.082 4.401 4.480 0.006 0.000 0.263 184 M C 2.084 178.376 176.300 -0.014 0.000 1.062 184 M CA 1.484 56.776 55.300 -0.012 0.000 1.105 184 M CB -0.770 31.818 32.600 -0.019 0.000 1.385 184 M HN 0.369 nan 8.290 nan 0.000 0.417 185 T N -0.334 114.209 114.554 -0.018 0.000 2.857 185 T HA -0.051 4.302 4.350 0.006 0.000 0.266 185 T C 1.829 176.527 174.700 -0.003 0.000 1.048 185 T CA 0.855 62.943 62.100 -0.020 0.000 1.139 185 T CB -0.244 68.603 68.868 -0.036 0.000 0.874 185 T HN 0.377 nan 8.240 nan 0.000 0.455 186 R N 1.213 121.715 120.500 0.003 0.000 2.082 186 R HA -0.044 4.300 4.340 0.006 0.000 0.234 186 R C 2.950 179.259 176.300 0.016 0.000 1.136 186 R CA 1.431 57.539 56.100 0.014 0.000 0.935 186 R CB -0.777 29.532 30.300 0.014 0.000 0.842 186 R HN 0.401 nan 8.270 nan 0.000 0.430 187 A N 1.663 124.489 122.820 0.010 0.000 1.881 187 A HA -0.268 4.055 4.320 0.006 0.000 0.219 187 A C 2.003 179.595 177.584 0.014 0.000 1.215 187 A CA 1.907 53.951 52.037 0.010 0.000 0.648 187 A CB -0.606 18.397 19.000 0.005 0.000 0.832 187 A HN 0.298 nan 8.150 nan 0.000 0.455 188 E N -0.520 119.685 120.200 0.010 0.000 2.160 188 E HA -0.156 4.197 4.350 0.006 0.000 0.195 188 E C 2.308 178.924 176.600 0.026 0.000 0.991 188 E CA 1.262 57.670 56.400 0.012 0.000 0.810 188 E CB -0.480 29.221 29.700 0.001 0.000 0.742 188 E HN 0.635 nan 8.360 nan 0.000 0.466 189 A N 1.477 124.316 122.820 0.031 0.000 1.898 189 A HA -0.143 4.181 4.320 0.006 0.000 0.214 189 A C 2.136 179.758 177.584 0.063 0.000 1.183 189 A CA 1.364 53.433 52.037 0.053 0.000 0.622 189 A CB -0.322 18.709 19.000 0.053 0.000 0.824 189 A HN 0.105 nan 8.150 nan 0.000 0.444 190 K N -0.050 120.377 120.400 0.045 0.000 2.015 190 K HA -0.227 4.097 4.320 0.006 0.000 0.216 190 K C 2.177 178.803 176.600 0.044 0.000 1.052 190 K CA 1.692 58.002 56.287 0.039 0.000 0.937 190 K CB -0.392 32.123 32.500 0.025 0.000 0.719 190 K HN 0.362 nan 8.250 nan 0.000 0.446 191 A N 0.936 123.781 122.820 0.042 0.000 1.877 191 A HA -0.124 4.199 4.320 0.006 0.000 0.216 191 A C 2.331 179.962 177.584 0.079 0.000 1.186 191 A CA 2.091 54.156 52.037 0.048 0.000 0.620 191 A CB -0.984 18.037 19.000 0.036 0.000 0.822 191 A HN 0.552 nan 8.150 nan 0.000 0.443 192 A N -1.535 121.338 122.820 0.089 0.000 1.863 192 A HA -0.127 4.197 4.320 0.006 0.000 0.218 192 A C 1.496 179.232 177.584 0.253 0.000 1.233 192 A CA 1.781 53.891 52.037 0.122 0.000 0.655 192 A CB -0.591 18.463 19.000 0.089 0.000 0.839 192 A HN 0.745 nan 8.150 nan 0.000 0.454 193 F N -1.182 118.777 119.950 0.015 0.000 2.688 193 F HA 0.373 4.903 4.527 0.006 0.000 0.376 193 F C 1.111 176.920 175.800 0.015 0.000 1.428 193 F CA 0.276 58.285 58.000 0.015 0.000 1.156 193 F CB 0.714 39.725 39.000 0.019 0.000 1.141 193 F HN 0.324 nan 8.300 nan 0.000 0.521 194 S N 0.576 116.311 115.700 0.058 0.000 2.981 194 S HA -0.288 4.186 4.470 0.006 0.000 0.274 194 S C 0.149 174.750 174.600 0.001 0.000 1.297 194 S CA 1.143 59.332 58.200 -0.019 0.000 1.266 194 S CB -1.313 61.815 63.200 -0.121 0.000 1.542 194 S HN 0.692 nan 8.310 nan 0.000 0.674 195 N N 0.982 119.711 118.700 0.048 0.000 2.419 195 N HA 0.187 4.931 4.740 0.006 0.000 0.277 195 N C 0.408 175.952 175.510 0.057 0.000 1.006 195 N CA -0.053 53.029 53.050 0.053 0.000 0.923 195 N CB 1.373 39.908 38.487 0.079 0.000 1.140 195 N HN 0.341 nan 8.380 nan 0.000 0.488 196 D N 3.241 123.666 120.400 0.041 0.000 2.234 196 D HA -0.078 4.566 4.640 0.006 0.000 0.205 196 D C 0.716 177.045 176.300 0.049 0.000 0.962 196 D CA 0.393 54.416 54.000 0.038 0.000 0.855 196 D CB 0.361 41.177 40.800 0.027 0.000 0.951 196 D HN 0.583 nan 8.370 nan 0.000 0.500 197 M N 1.828 121.463 119.600 0.059 0.000 2.219 197 M HA 0.173 4.656 4.480 0.006 0.000 0.353 197 M C -0.598 175.767 176.300 0.109 0.000 1.304 197 M CA -0.030 55.314 55.300 0.074 0.000 1.115 197 M CB 1.026 33.666 32.600 0.067 0.000 1.664 197 M HN -0.143 nan 8.290 nan 0.000 0.459 198 V N 3.581 123.568 119.914 0.121 0.000 3.159 198 V HA 0.792 4.916 4.120 0.006 0.000 0.308 198 V C -1.562 174.663 176.094 0.218 0.000 1.190 198 V CA -0.800 61.592 62.300 0.152 0.000 1.037 198 V CB 1.626 33.475 31.823 0.042 0.000 1.060 198 V HN 1.010 nan 8.190 nan 0.000 0.437 199 Y N 1.650 121.960 120.300 0.017 0.000 2.698 199 Y HA 0.933 5.486 4.550 0.006 0.000 0.332 199 Y C -0.463 175.444 175.900 0.012 0.000 1.119 199 Y CA -1.216 56.893 58.100 0.016 0.000 1.109 199 Y CB 2.058 40.530 38.460 0.020 0.000 1.308 199 Y HN 1.042 nan 8.280 nan 0.000 0.499 200 M N 0.865 120.459 119.600 -0.011 0.000 2.619 200 M HA 0.800 5.283 4.480 0.006 0.000 0.297 200 M C -1.692 174.606 176.300 -0.003 0.000 1.229 200 M CA -0.460 54.772 55.300 -0.114 0.000 0.860 200 M CB 3.335 35.898 32.600 -0.061 0.000 1.741 200 M HN 0.883 nan 8.290 nan 0.000 0.462 201 E N 0.133 120.311 120.200 -0.035 0.000 2.416 201 E HA 0.372 4.725 4.350 0.006 0.000 0.280 201 E C -1.822 174.788 176.600 0.017 0.000 1.055 201 E CA -1.252 55.170 56.400 0.036 0.000 0.825 201 E CB 1.559 31.320 29.700 0.101 0.000 1.312 201 E HN 0.812 nan 8.360 nan 0.000 0.452 202 K N 0.876 121.292 120.400 0.027 0.000 2.485 202 K HA -0.007 4.316 4.320 0.006 0.000 0.277 202 K C -1.181 175.446 176.600 0.046 0.000 0.990 202 K CA -0.069 56.228 56.287 0.017 0.000 0.994 202 K CB 0.293 32.791 32.500 -0.003 0.000 0.906 202 K HN 0.487 nan 8.250 nan 0.000 0.488 203 Y N 5.141 125.391 120.300 -0.083 0.000 2.341 203 Y HA 0.226 4.780 4.550 0.006 0.000 0.340 203 Y C -0.723 175.111 175.900 -0.110 0.000 0.997 203 Y CA -0.798 57.255 58.100 -0.079 0.000 1.149 203 Y CB 0.516 38.953 38.460 -0.037 0.000 1.171 203 Y HN 0.386 nan 8.280 nan 0.000 0.494 204 L N 7.141 128.073 121.223 -0.485 0.000 2.288 204 L HA 0.283 4.627 4.340 0.006 0.000 0.283 204 L C 1.179 177.605 176.870 -0.739 0.000 1.072 204 L CA -0.071 54.455 54.840 -0.524 0.000 0.862 204 L CB 0.971 42.778 42.059 -0.421 0.000 1.245 204 L HN 0.738 nan 8.230 nan 0.000 0.432 205 E N 3.143 122.928 120.200 -0.692 0.000 2.028 205 E HA -0.079 4.274 4.350 0.006 0.000 0.190 205 E C 0.234 176.739 176.600 -0.158 0.000 0.984 205 E CA 0.958 57.019 56.400 -0.565 0.000 0.800 205 E CB 0.336 29.895 29.700 -0.235 0.000 0.758 205 E HN 0.685 nan 8.360 nan 0.000 0.448 206 N N 1.826 120.457 118.700 -0.115 0.000 2.886 206 N HA 0.234 4.978 4.740 0.006 0.000 0.285 206 N C -2.646 172.800 175.510 -0.107 0.000 1.706 206 N CA -1.150 51.877 53.050 -0.037 0.000 0.904 206 N CB 1.643 40.133 38.487 0.004 0.000 1.224 206 N HN 0.167 nan 8.380 nan 0.000 0.488 207 P HA 0.330 nan 4.420 nan 0.000 0.281 207 P C -0.699 176.554 177.300 -0.078 0.000 1.264 207 P CA -0.449 62.575 63.100 -0.128 0.000 0.824 207 P CB 1.713 33.338 31.700 -0.124 0.000 1.092 208 R N -0.542 119.971 120.500 0.021 0.000 2.711 208 R HA 0.354 4.697 4.340 0.006 0.000 0.284 208 R C -0.120 176.301 176.300 0.201 0.000 0.968 208 R CA -0.728 55.438 56.100 0.110 0.000 0.924 208 R CB 1.103 31.509 30.300 0.177 0.000 1.162 208 R HN 0.615 nan 8.270 nan 0.000 0.465 209 H N 1.836 120.966 119.070 0.100 0.000 2.934 209 H HA 0.279 4.838 4.556 0.006 0.000 0.273 209 H C -0.925 174.504 175.328 0.168 0.000 1.121 209 H CA -0.327 55.800 56.048 0.132 0.000 1.451 209 H CB 0.438 30.246 29.762 0.076 0.000 1.469 209 H HN 0.091 nan 8.280 nan 0.000 0.476 210 V N 6.101 126.205 119.914 0.317 0.000 2.555 210 V HA 0.276 4.399 4.120 0.006 0.000 0.302 210 V C -0.503 175.799 176.094 0.348 0.000 1.038 210 V CA -0.700 61.792 62.300 0.319 0.000 0.887 210 V CB 1.708 33.688 31.823 0.261 0.000 0.991 210 V HN 0.917 nan 8.190 nan 0.000 0.434 211 E N 4.471 124.862 120.200 0.319 0.000 2.331 211 E HA 0.699 5.052 4.350 0.006 0.000 0.275 211 E C -1.661 175.088 176.600 0.249 0.000 0.895 211 E CA -0.884 55.722 56.400 0.344 0.000 0.753 211 E CB 2.612 32.512 29.700 0.333 0.000 1.216 211 E HN 0.514 nan 8.360 nan 0.000 0.434 212 I N 1.915 122.669 120.570 0.308 0.000 2.378 212 I HA 0.201 4.374 4.170 0.006 0.000 0.291 212 I C -0.350 175.943 176.117 0.295 0.000 0.992 212 I CA -1.057 60.380 61.300 0.227 0.000 1.154 212 I CB 1.739 39.805 38.000 0.110 0.000 1.315 212 I HN 0.525 nan 8.210 nan 0.000 0.448 213 Q N 6.579 126.514 119.800 0.225 0.000 2.279 213 Q HA 0.478 4.821 4.340 0.006 0.000 0.256 213 Q C -0.937 175.209 176.000 0.244 0.000 0.937 213 Q CA -0.441 55.490 55.803 0.214 0.000 0.933 213 Q CB 1.380 30.218 28.738 0.166 0.000 1.189 213 Q HN 0.555 nan 8.270 nan 0.000 0.417 214 V N 1.940 122.018 119.914 0.274 0.000 3.019 214 V HA 0.761 4.884 4.120 0.006 0.000 0.317 214 V C -0.841 175.402 176.094 0.249 0.000 1.094 214 V CA -1.041 61.430 62.300 0.286 0.000 1.000 214 V CB 1.833 33.890 31.823 0.391 0.000 1.060 214 V HN 0.747 nan 8.190 nan 0.000 0.443 215 L N 2.013 123.367 121.223 0.218 0.000 2.436 215 L HA 0.910 5.254 4.340 0.006 0.000 0.268 215 L C -0.328 176.652 176.870 0.183 0.000 0.974 215 L CA -0.680 54.269 54.840 0.182 0.000 0.826 215 L CB 2.057 44.177 42.059 0.100 0.000 1.291 215 L HN 1.059 nan 8.230 nan 0.000 0.406 216 A N 0.937 123.858 122.820 0.167 0.000 2.408 216 A HA 0.488 4.811 4.320 0.006 0.000 0.295 216 A C -0.137 177.453 177.584 0.010 0.000 1.040 216 A CA -0.605 51.505 52.037 0.122 0.000 0.707 216 A CB 1.094 20.238 19.000 0.241 0.000 1.235 216 A HN 0.809 nan 8.150 nan 0.000 0.418 217 D N 1.668 122.076 120.400 0.014 0.000 2.378 217 D HA 0.160 4.804 4.640 0.006 0.000 0.227 217 D C 1.262 177.548 176.300 -0.022 0.000 1.012 217 D CA 1.004 54.997 54.000 -0.012 0.000 0.905 217 D CB -0.209 40.591 40.800 0.001 0.000 0.895 217 D HN 1.585 nan 8.370 nan 0.000 0.532 218 G N 0.374 109.163 108.800 -0.018 0.000 2.196 218 G HA2 -0.404 3.559 3.960 0.006 0.000 0.268 218 G HA3 -0.404 3.559 3.960 0.006 0.000 0.268 218 G C 0.891 175.794 174.900 0.005 0.000 0.975 218 G CA 0.635 45.728 45.100 -0.011 0.000 0.648 218 G HN 0.515 nan 8.290 nan 0.000 0.538 219 Q N -0.930 118.875 119.800 0.008 0.000 2.179 219 Q HA 0.452 4.796 4.340 0.006 0.000 0.213 219 Q C 1.697 177.706 176.000 0.014 0.000 0.833 219 Q CA 0.529 56.336 55.803 0.008 0.000 0.990 219 Q CB 0.983 29.723 28.738 0.003 0.000 1.132 219 Q HN 1.350 nan 8.270 nan 0.000 0.493 220 G N 0.966 109.781 108.800 0.024 0.000 2.192 220 G HA2 -0.190 3.774 3.960 0.006 0.000 0.193 220 G HA3 -0.190 3.774 3.960 0.006 0.000 0.193 220 G C -0.210 174.708 174.900 0.030 0.000 0.999 220 G CA -0.635 44.480 45.100 0.026 0.000 0.659 220 G HN 0.294 nan 8.290 nan 0.000 0.503 221 N N 0.803 119.523 118.700 0.032 0.000 2.392 221 N HA 0.656 5.399 4.740 0.006 0.000 0.283 221 N C -0.468 175.076 175.510 0.057 0.000 1.003 221 N CA 0.327 53.398 53.050 0.034 0.000 0.892 221 N CB 1.784 40.283 38.487 0.020 0.000 1.193 221 N HN 0.617 nan 8.380 nan 0.000 0.487 222 A N 2.656 125.516 122.820 0.065 0.000 2.427 222 A HA 0.622 4.946 4.320 0.006 0.000 0.298 222 A C -0.733 176.898 177.584 0.079 0.000 1.036 222 A CA -0.680 51.416 52.037 0.099 0.000 0.701 222 A CB 0.837 19.923 19.000 0.143 0.000 1.250 222 A HN 0.709 nan 8.150 nan 0.000 0.412 223 I N -0.419 120.191 120.570 0.068 0.000 2.646 223 I HA 0.843 5.016 4.170 0.006 0.000 0.299 223 I C -0.779 175.371 176.117 0.055 0.000 1.036 223 I CA -1.151 60.141 61.300 -0.014 0.000 1.074 223 I CB 1.856 39.803 38.000 -0.087 0.000 1.258 223 I HN 0.688 nan 8.210 nan 0.000 0.430 224 Y N 3.359 123.672 120.300 0.021 0.000 2.361 224 Y HA 0.783 5.336 4.550 0.005 0.000 0.332 224 Y C -1.002 174.914 175.900 0.026 0.000 1.101 224 Y CA -1.656 56.457 58.100 0.022 0.000 1.137 224 Y CB 1.039 39.478 38.460 -0.035 0.000 1.207 224 Y HN 0.472 nan 8.280 nan 0.000 0.463 225 L N 4.813 126.126 121.223 0.150 0.000 2.506 225 L HA 0.682 5.026 4.340 0.006 0.000 0.247 225 L C 0.613 177.551 176.870 0.114 0.000 1.141 225 L CA -0.088 54.797 54.840 0.075 0.000 0.973 225 L CB -0.070 42.033 42.059 0.074 0.000 1.319 225 L HN 1.164 nan 8.230 nan 0.000 0.455 226 A N 1.466 124.375 122.820 0.148 0.000 5.813 226 A HA -0.128 4.195 4.320 0.006 0.000 0.291 226 A C 0.250 177.890 177.584 0.095 0.000 1.970 226 A CA 1.350 53.459 52.037 0.118 0.000 0.717 226 A CB -0.609 18.422 19.000 0.053 0.000 1.222 226 A HN 0.753 nan 8.150 nan 0.000 0.377 227 E N -0.133 120.094 120.200 0.045 0.000 2.430 227 E HA 0.746 5.099 4.350 0.006 0.000 0.279 227 E C -0.974 175.650 176.600 0.040 0.000 1.003 227 E CA -0.781 55.641 56.400 0.037 0.000 0.801 227 E CB 0.994 30.677 29.700 -0.028 0.000 1.313 227 E HN 0.910 nan 8.360 nan 0.000 0.459 228 R N 0.335 120.878 120.500 0.073 0.000 2.750 228 R HA 0.445 4.789 4.340 0.006 0.000 0.281 228 R C -0.921 175.444 176.300 0.107 0.000 0.972 228 R CA -0.941 55.199 56.100 0.065 0.000 0.912 228 R CB 1.498 31.834 30.300 0.061 0.000 1.187 228 R HN 0.490 nan 8.270 nan 0.000 0.464 229 D N 1.601 122.055 120.400 0.091 0.000 2.317 229 D HA 0.186 4.829 4.640 0.006 0.000 0.234 229 D C -0.659 175.700 176.300 0.099 0.000 1.112 229 D CA -0.340 53.735 54.000 0.126 0.000 0.840 229 D CB 1.072 41.942 40.800 0.116 0.000 1.078 229 D HN 0.542 nan 8.370 nan 0.000 0.486 230 C N 3.385 122.738 119.300 0.089 0.000 2.808 230 C HA 0.241 4.705 4.460 0.006 0.000 0.261 230 C C 1.719 176.663 174.990 -0.077 0.000 1.574 230 C CA -0.559 58.420 59.018 -0.064 0.000 1.611 230 C CB -1.068 26.506 27.740 -0.276 0.000 2.726 230 C HN 0.517 nan 8.230 nan 0.000 0.528 231 S N 0.584 116.308 115.700 0.039 0.000 2.425 231 S HA 0.084 4.558 4.470 0.006 0.000 0.225 231 S C 1.063 175.669 174.600 0.009 0.000 1.024 231 S CA 0.641 58.867 58.200 0.044 0.000 0.951 231 S CB -0.084 63.160 63.200 0.074 0.000 0.796 231 S HN 0.611 nan 8.310 nan 0.000 0.498 232 M N 3.185 122.788 119.600 0.005 0.000 2.612 232 M HA 0.197 4.681 4.480 0.006 0.000 0.336 232 M C -0.381 175.886 176.300 -0.055 0.000 1.699 232 M CA 1.053 56.340 55.300 -0.021 0.000 1.284 232 M CB -1.002 31.554 32.600 -0.074 0.000 1.957 232 M HN 0.314 nan 8.290 nan 0.000 0.456 233 Q N 1.298 121.066 119.800 -0.053 0.000 2.359 233 Q HA 0.437 4.780 4.340 0.006 0.000 0.274 233 Q C 0.256 176.184 176.000 -0.121 0.000 1.074 233 Q CA -0.740 55.008 55.803 -0.090 0.000 0.810 233 Q CB 3.514 32.198 28.738 -0.089 0.000 1.342 233 Q HN 0.585 nan 8.270 nan 0.000 0.427 234 R N 1.227 121.626 120.500 -0.167 0.000 1.852 234 R HA 0.263 4.607 4.340 0.006 0.000 0.161 234 R C 1.143 177.289 176.300 -0.256 0.000 1.756 234 R CA 0.184 56.129 56.100 -0.258 0.000 1.480 234 R CB 0.309 30.380 30.300 -0.382 0.000 0.995 234 R HN 0.566 nan 8.270 nan 0.000 0.490 235 R N -0.469 119.885 120.500 -0.245 0.000 1.583 235 R HA 0.055 4.398 4.340 0.006 0.000 0.125 235 R C 2.192 178.335 176.300 -0.262 0.000 0.977 235 R CA 0.468 56.443 56.100 -0.209 0.000 1.738 235 R CB -0.697 29.535 30.300 -0.113 0.000 0.679 235 R HN 0.510 nan 8.270 nan 0.000 0.652 236 H N 0.974 120.011 119.070 -0.055 0.000 2.551 236 H HA 0.108 4.667 4.556 0.006 0.000 0.266 236 H C 0.181 175.473 175.328 -0.059 0.000 0.964 236 H CA 0.247 56.270 56.048 -0.041 0.000 1.180 236 H CB 0.471 30.218 29.762 -0.024 0.000 1.408 236 H HN 0.207 nan 8.280 nan 0.000 0.563 237 Q N 2.176 121.970 119.800 -0.010 0.000 2.244 237 Q HA 0.004 4.347 4.340 0.006 0.000 0.278 237 Q C 0.082 176.036 176.000 -0.076 0.000 1.093 237 Q CA 0.361 56.138 55.803 -0.043 0.000 0.916 237 Q CB 0.682 29.390 28.738 -0.050 0.000 1.159 237 Q HN 0.264 nan 8.270 nan 0.000 0.384 238 K N 1.596 121.942 120.400 -0.091 0.000 2.491 238 K HA -0.028 4.295 4.320 0.006 0.000 0.279 238 K C 0.764 177.311 176.600 -0.088 0.000 1.026 238 K CA -0.156 56.061 56.287 -0.117 0.000 1.070 238 K CB 0.578 32.987 32.500 -0.152 0.000 0.887 238 K HN 0.362 nan 8.250 nan 0.000 0.481 239 V N 2.924 122.789 119.914 -0.082 0.000 2.908 239 V HA 0.023 4.147 4.120 0.006 0.000 0.240 239 V C 0.322 176.380 176.094 -0.061 0.000 1.117 239 V CA 0.273 62.535 62.300 -0.063 0.000 1.133 239 V CB 0.829 32.613 31.823 -0.065 0.000 0.857 239 V HN 0.439 nan 8.190 nan 0.000 0.478 240 V N 0.410 120.280 119.914 -0.073 0.000 2.864 240 V HA 0.621 4.745 4.120 0.006 0.000 0.314 240 V C -1.204 174.878 176.094 -0.019 0.000 1.073 240 V CA -0.554 61.712 62.300 -0.056 0.000 0.956 240 V CB 2.058 33.805 31.823 -0.127 0.000 1.023 240 V HN 0.427 nan 8.190 nan 0.000 0.435 241 E N 1.907 122.114 120.200 0.011 0.000 2.343 241 E HA 0.367 4.721 4.350 0.006 0.000 0.260 241 E C -0.939 175.685 176.600 0.039 0.000 0.908 241 E CA -0.467 55.942 56.400 0.014 0.000 0.814 241 E CB 1.629 31.316 29.700 -0.021 0.000 1.302 241 E HN 0.854 nan 8.360 nan 0.000 0.408 242 E N 1.617 121.858 120.200 0.067 0.000 2.250 242 E HA 0.856 5.209 4.350 0.006 0.000 0.269 242 E C -0.761 175.789 176.600 -0.083 0.000 1.018 242 E CA -1.372 55.036 56.400 0.014 0.000 0.873 242 E CB 1.938 31.720 29.700 0.138 0.000 1.134 242 E HN 0.305 nan 8.360 nan 0.000 0.403 243 A N 2.096 124.745 122.820 -0.285 0.000 2.517 243 A HA 0.516 4.839 4.320 0.006 0.000 0.297 243 A C -2.781 174.494 177.584 -0.515 0.000 1.050 243 A CA -1.470 50.413 52.037 -0.256 0.000 0.694 243 A CB 1.625 20.557 19.000 -0.114 0.000 1.277 243 A HN 0.563 nan 8.150 nan 0.000 0.400 244 P HA 0.409 nan 4.420 nan 0.000 0.274 244 P C 0.009 177.314 177.300 0.008 0.000 1.256 244 P CA -0.034 63.024 63.100 -0.069 0.000 0.795 244 P CB 0.851 32.547 31.700 -0.005 0.000 1.038 245 A N 2.104 124.938 122.820 0.023 0.000 2.451 245 A HA 0.379 4.703 4.320 0.006 0.000 0.266 245 A C -2.027 175.591 177.584 0.056 0.000 1.119 245 A CA -1.223 50.844 52.037 0.049 0.000 0.786 245 A CB -1.483 17.533 19.000 0.026 0.000 1.061 245 A HN 0.379 nan 8.150 nan 0.000 0.503 246 P HA 0.151 nan 4.420 nan 0.000 0.264 246 P C 1.006 178.308 177.300 0.002 0.000 1.179 246 P CA 1.827 64.929 63.100 0.004 0.000 0.763 246 P CB 0.419 32.082 31.700 -0.060 0.000 0.806 247 G N 2.446 111.235 108.800 -0.020 0.000 2.273 247 G HA2 -0.218 3.745 3.960 0.006 0.000 0.280 247 G HA3 -0.218 3.745 3.960 0.006 0.000 0.280 247 G C -0.041 174.883 174.900 0.040 0.000 1.047 247 G CA -0.440 44.661 45.100 0.002 0.000 0.869 247 G HN 0.468 nan 8.290 nan 0.000 0.502 248 I N 2.328 122.906 120.570 0.012 0.000 2.337 248 I HA 0.220 4.394 4.170 0.006 0.000 0.285 248 I C 1.322 177.443 176.117 0.007 0.000 1.041 248 I CA -0.202 61.098 61.300 0.000 0.000 1.199 248 I CB 0.289 38.260 38.000 -0.049 0.000 1.370 248 I HN 0.337 nan 8.210 nan 0.000 0.470 249 T N 4.681 119.247 114.554 0.020 0.000 2.934 249 T HA 0.105 4.459 4.350 0.006 0.000 0.306 249 T C -1.628 173.082 174.700 0.017 0.000 1.042 249 T CA -0.847 61.263 62.100 0.016 0.000 1.145 249 T CB 0.627 69.505 68.868 0.018 0.000 0.982 249 T HN 0.311 nan 8.240 nan 0.000 0.544 250 P HA -0.137 nan 4.420 nan 0.000 0.217 250 P C 1.191 178.515 177.300 0.040 0.000 1.148 250 P CA 1.211 64.328 63.100 0.029 0.000 0.834 250 P CB 0.051 31.770 31.700 0.032 0.000 0.783 251 E N -1.050 119.171 120.200 0.036 0.000 2.077 251 E HA -0.158 4.196 4.350 0.006 0.000 0.193 251 E C 1.837 178.470 176.600 0.055 0.000 0.989 251 E CA 0.817 57.244 56.400 0.044 0.000 0.800 251 E CB -1.084 28.634 29.700 0.029 0.000 0.746 251 E HN 0.140 nan 8.360 nan 0.000 0.452 252 L N 0.762 122.007 121.223 0.037 0.000 2.072 252 L HA -0.012 4.331 4.340 0.006 0.000 0.205 252 L C 2.304 179.187 176.870 0.022 0.000 1.079 252 L CA 1.628 56.496 54.840 0.048 0.000 0.752 252 L CB -0.388 41.714 42.059 0.071 0.000 0.906 252 L HN -0.031 nan 8.230 nan 0.000 0.436 253 R N -0.482 120.008 120.500 -0.017 0.000 2.080 253 R HA -0.228 4.115 4.340 0.006 0.000 0.236 253 R C 2.555 178.773 176.300 -0.135 0.000 1.137 253 R CA 1.951 58.000 56.100 -0.085 0.000 0.943 253 R CB -0.394 29.899 30.300 -0.012 0.000 0.846 253 R HN 0.312 nan 8.270 nan 0.000 0.431 254 R N -0.614 119.876 120.500 -0.018 0.000 2.091 254 R HA -0.239 4.105 4.340 0.006 0.000 0.238 254 R C 2.206 178.412 176.300 -0.157 0.000 1.136 254 R CA 1.972 58.068 56.100 -0.007 0.000 0.959 254 R CB -0.618 29.733 30.300 0.085 0.000 0.856 254 R HN 0.400 nan 8.270 nan 0.000 0.437 255 Y N 0.932 121.109 120.300 -0.205 0.000 2.030 255 Y HA -0.292 4.261 4.550 0.005 0.000 0.274 255 Y C 2.105 177.775 175.900 -0.384 0.000 1.153 255 Y CA 2.176 60.142 58.100 -0.224 0.000 1.115 255 Y CB -0.486 37.890 38.460 -0.140 0.000 0.969 255 Y HN 0.143 nan 8.280 nan 0.000 0.488 256 I N 0.742 121.127 120.570 -0.309 0.000 2.353 256 I HA -0.055 4.119 4.170 0.006 0.000 0.248 256 I C 2.444 178.077 176.117 -0.805 0.000 1.119 256 I CA 1.773 62.677 61.300 -0.659 0.000 1.417 256 I CB -1.089 36.201 38.000 -1.184 0.000 1.078 256 I HN 0.368 nan 8.210 nan 0.000 0.421 257 G N -0.397 107.823 108.800 -0.966 0.000 2.459 257 G HA2 -0.274 3.689 3.960 0.006 0.000 0.217 257 G HA3 -0.274 3.689 3.960 0.006 0.000 0.217 257 G C 1.595 175.749 174.900 -1.244 0.000 1.183 257 G CA 0.847 45.039 45.100 -1.513 0.000 0.776 257 G HN 0.477 nan 8.290 nan 0.000 0.552 258 E N -0.310 119.297 120.200 -0.990 0.000 2.160 258 E HA -0.129 4.224 4.350 0.006 0.000 0.195 258 E C 2.680 179.070 176.600 -0.351 0.000 0.991 258 E CA 0.606 56.780 56.400 -0.377 0.000 0.810 258 E CB -0.002 29.554 29.700 -0.240 0.000 0.742 258 E HN 0.204 nan 8.360 nan 0.000 0.466 259 R N -0.084 120.117 120.500 -0.498 0.000 2.062 259 R HA -0.065 4.279 4.340 0.006 0.000 0.229 259 R C 2.273 178.315 176.300 -0.429 0.000 1.128 259 R CA 1.258 57.093 56.100 -0.441 0.000 0.960 259 R CB -0.539 29.454 30.300 -0.512 0.000 0.855 259 R HN 0.207 nan 8.270 nan 0.000 0.432 260 C N -0.391 118.572 119.300 -0.561 0.000 2.429 260 C HA -0.025 4.439 4.460 0.006 0.000 0.277 260 C C 2.722 177.450 174.990 -0.435 0.000 1.262 260 C CA 0.647 59.163 59.018 -0.836 0.000 1.733 260 C CB -1.165 26.012 27.740 -0.939 0.000 2.010 260 C HN 0.639 nan 8.230 nan 0.000 0.483 261 A N 0.911 123.617 122.820 -0.189 0.000 1.859 261 A HA -0.280 4.043 4.320 0.006 0.000 0.217 261 A C 2.068 179.640 177.584 -0.020 0.000 1.198 261 A CA 2.577 54.617 52.037 0.006 0.000 0.629 261 A CB -0.681 18.391 19.000 0.119 0.000 0.830 261 A HN 0.507 nan 8.150 nan 0.000 0.446 262 K N 0.077 120.430 120.400 -0.079 0.000 2.044 262 K HA -0.110 4.213 4.320 0.006 0.000 0.210 262 K C 2.037 178.608 176.600 -0.048 0.000 1.049 262 K CA 2.012 58.260 56.287 -0.064 0.000 0.927 262 K CB -0.848 31.591 32.500 -0.102 0.000 0.713 262 K HN 0.390 nan 8.250 nan 0.000 0.443 263 A N 0.086 122.845 122.820 -0.102 0.000 1.917 263 A HA -0.237 4.087 4.320 0.006 0.000 0.219 263 A C 2.607 180.235 177.584 0.073 0.000 1.182 263 A CA 1.984 53.991 52.037 -0.049 0.000 0.633 263 A CB -1.275 17.646 19.000 -0.131 0.000 0.819 263 A HN 0.540 nan 8.150 nan 0.000 0.448 264 C N -1.102 118.273 119.300 0.125 0.000 2.413 264 C HA -0.103 4.360 4.460 0.006 0.000 0.278 264 C C 2.758 177.855 174.990 0.178 0.000 1.224 264 C CA 1.217 60.374 59.018 0.231 0.000 1.732 264 C CB -1.405 26.509 27.740 0.289 0.000 2.050 264 C HN 0.525 nan 8.230 nan 0.000 0.463 265 V N 1.595 121.576 119.914 0.112 0.000 2.282 265 V HA -0.260 3.863 4.120 0.006 0.000 0.249 265 V C 1.961 178.092 176.094 0.061 0.000 1.057 265 V CA 2.517 64.864 62.300 0.077 0.000 1.032 265 V CB -0.999 30.850 31.823 0.045 0.000 0.645 265 V HN 0.455 nan 8.190 nan 0.000 0.447 266 D N -0.400 120.026 120.400 0.043 0.000 2.178 266 D HA -0.079 4.564 4.640 0.006 0.000 0.201 266 D C 1.918 178.243 176.300 0.042 0.000 0.980 266 D CA 1.137 55.154 54.000 0.027 0.000 0.842 266 D CB -0.132 40.670 40.800 0.003 0.000 0.948 266 D HN 0.426 nan 8.370 nan 0.000 0.472 267 I N -0.301 120.312 120.570 0.071 0.000 3.603 267 I HA 0.056 4.230 4.170 0.006 0.000 0.297 267 I C 0.446 176.631 176.117 0.114 0.000 1.269 267 I CA 0.444 61.796 61.300 0.086 0.000 1.361 267 I CB -0.028 38.031 38.000 0.098 0.000 1.063 267 I HN 0.092 nan 8.210 nan 0.000 0.448 268 G N 1.674 110.544 108.800 0.118 0.000 2.353 268 G HA2 -0.332 3.632 3.960 0.006 0.000 0.294 268 G HA3 -0.332 3.632 3.960 0.006 0.000 0.294 268 G C -0.140 174.852 174.900 0.153 0.000 1.077 268 G CA 0.061 45.225 45.100 0.106 0.000 1.098 268 G HN 0.526 nan 8.290 nan 0.000 0.511 269 Y N 0.387 120.721 120.300 0.057 0.000 2.336 269 Y HA 0.579 5.133 4.550 0.006 0.000 0.331 269 Y C 0.910 176.843 175.900 0.055 0.000 1.211 269 Y CA -0.537 57.602 58.100 0.064 0.000 1.346 269 Y CB 0.752 39.271 38.460 0.098 0.000 1.271 269 Y HN 0.382 nan 8.280 nan 0.000 0.538 270 R N 4.182 124.196 120.500 -0.811 0.000 2.539 270 R HA 0.514 4.857 4.340 0.006 0.000 0.295 270 R C -0.564 175.351 176.300 -0.641 0.000 1.138 270 R CA 0.380 56.174 56.100 -0.510 0.000 0.936 270 R CB 0.774 30.929 30.300 -0.242 0.000 1.182 270 R HN 1.008 nan 8.270 nan 0.000 0.459 271 G N 2.096 110.661 108.800 -0.391 0.000 2.337 271 G HA2 0.115 4.078 3.960 0.006 0.000 0.197 271 G HA3 0.115 4.078 3.960 0.006 0.000 0.197 271 G C -1.355 173.530 174.900 -0.025 0.000 1.238 271 G CA -0.384 44.583 45.100 -0.222 0.000 1.119 271 G HN 0.800 nan 8.290 nan 0.000 0.514 272 A N -0.794 122.069 122.820 0.072 0.000 2.294 272 A HA 1.107 5.430 4.320 0.006 0.000 0.330 272 A C 0.599 178.402 177.584 0.365 0.000 1.133 272 A CA 0.656 52.814 52.037 0.202 0.000 0.836 272 A CB 1.497 20.558 19.000 0.101 0.000 1.190 272 A HN 2.668 nan 8.150 nan 0.000 0.492 273 G N -0.888 108.088 108.800 0.293 0.000 2.519 273 G HA2 0.530 4.494 3.960 0.006 0.000 0.292 273 G HA3 0.530 4.494 3.960 0.006 0.000 0.292 273 G C -1.171 173.727 174.900 -0.003 0.000 1.507 273 G CA -0.351 44.816 45.100 0.112 0.000 0.806 273 G HN 0.812 nan 8.290 nan 0.000 0.523 274 T N 0.879 115.375 114.554 -0.096 0.000 2.807 274 T HA 0.557 4.911 4.350 0.006 0.000 0.279 274 T C -0.961 173.640 174.700 -0.166 0.000 0.993 274 T CA -0.156 61.931 62.100 -0.022 0.000 0.970 274 T CB 1.049 69.947 68.868 0.049 0.000 0.950 274 T HN 0.288 nan 8.240 nan 0.000 0.441 275 F N 2.429 122.433 119.950 0.090 0.000 2.404 275 F HA 0.314 4.845 4.527 0.006 0.000 0.358 275 F C 1.091 176.917 175.800 0.043 0.000 1.120 275 F CA -0.642 57.414 58.000 0.093 0.000 1.144 275 F CB 0.815 40.005 39.000 0.315 0.000 1.133 275 F HN 0.455 nan 8.300 nan 0.000 0.495 276 E N 4.209 124.298 120.200 -0.184 0.000 2.156 276 E HA 0.450 4.804 4.350 0.006 0.000 0.279 276 E C -1.181 175.110 176.600 -0.515 0.000 0.965 276 E CA -0.512 55.753 56.400 -0.225 0.000 0.789 276 E CB 1.430 30.984 29.700 -0.244 0.000 1.098 276 E HN 0.317 nan 8.360 nan 0.000 0.397 277 F N 1.349 121.220 119.950 -0.131 0.000 2.611 277 F HA 0.445 4.976 4.527 0.007 0.000 0.324 277 F C -0.040 175.751 175.800 -0.014 0.000 1.061 277 F CA -0.961 57.056 58.000 0.029 0.000 0.954 277 F CB 0.950 40.139 39.000 0.315 0.000 1.301 277 F HN 0.176 nan 8.300 nan 0.000 0.482 278 L N 1.474 122.890 121.223 0.321 0.000 2.343 278 L HA 0.462 4.806 4.340 0.006 0.000 0.275 278 L C -1.193 175.948 176.870 0.452 0.000 1.056 278 L CA -0.626 54.383 54.840 0.281 0.000 0.804 278 L CB 1.566 43.711 42.059 0.144 0.000 1.203 278 L HN 0.591 nan 8.230 nan 0.000 0.440 279 F N 2.699 122.692 119.950 0.072 0.000 2.745 279 F HA 0.380 4.910 4.527 0.005 0.000 0.343 279 F C -0.611 175.128 175.800 -0.102 0.000 1.196 279 F CA -0.293 57.617 58.000 -0.150 0.000 1.021 279 F CB 0.972 39.767 39.000 -0.341 0.000 1.297 279 F HN 0.448 nan 8.300 nan 0.000 0.486 280 E N 5.552 125.478 120.200 -0.457 0.000 2.274 280 E HA 0.267 4.620 4.350 0.006 0.000 0.269 280 E C -0.763 175.611 176.600 -0.376 0.000 0.891 280 E CA -0.541 55.618 56.400 -0.403 0.000 0.784 280 E CB 0.978 30.560 29.700 -0.197 0.000 1.225 280 E HN 0.738 nan 8.360 nan 0.000 0.412 281 N N 2.957 121.399 118.700 -0.429 0.000 2.758 281 N HA -0.188 4.555 4.740 0.006 0.000 0.248 281 N C 0.421 175.736 175.510 -0.325 0.000 1.076 281 N CA 1.337 54.215 53.050 -0.287 0.000 0.696 281 N CB -1.463 36.942 38.487 -0.136 0.000 0.979 281 N HN 0.979 nan 8.380 nan 0.000 0.550 282 G N -0.935 107.516 108.800 -0.583 0.000 2.179 282 G HA2 -0.315 3.648 3.960 0.006 0.000 0.257 282 G HA3 -0.315 3.648 3.960 0.006 0.000 0.257 282 G C -0.301 174.496 174.900 -0.172 0.000 1.010 282 G CA 0.839 45.762 45.100 -0.295 0.000 0.736 282 G HN 0.537 nan 8.290 nan 0.000 0.513 283 E N -1.055 118.945 120.200 -0.333 0.000 2.266 283 E HA 0.629 4.982 4.350 0.006 0.000 0.268 283 E C -0.857 175.568 176.600 -0.291 0.000 0.879 283 E CA -0.777 55.473 56.400 -0.250 0.000 0.762 283 E CB 1.474 31.010 29.700 -0.274 0.000 1.199 283 E HN 0.099 nan 8.360 nan 0.000 0.422 284 F N 1.374 121.268 119.950 -0.093 0.000 2.436 284 F HA 0.363 4.893 4.527 0.005 0.000 0.340 284 F C -0.400 175.363 175.800 -0.061 0.000 1.113 284 F CA -0.705 57.334 58.000 0.064 0.000 1.022 284 F CB 0.902 39.867 39.000 -0.058 0.000 1.128 284 F HN 0.285 nan 8.300 nan 0.000 0.466 285 Y N 3.207 123.832 120.300 0.542 0.000 2.326 285 Y HA 0.293 4.847 4.550 0.006 0.000 0.331 285 Y C -0.351 175.786 175.900 0.395 0.000 0.962 285 Y CA -1.618 56.725 58.100 0.405 0.000 1.167 285 Y CB 0.970 39.557 38.460 0.213 0.000 1.148 285 Y HN 0.498 nan 8.280 nan 0.000 0.463 286 F N 4.743 124.854 119.950 0.268 0.000 2.533 286 F HA 0.242 4.773 4.527 0.006 0.000 0.378 286 F C 0.254 175.982 175.800 -0.120 0.000 1.070 286 F CA -0.044 57.828 58.000 -0.213 0.000 1.172 286 F CB 0.398 39.279 39.000 -0.199 0.000 1.085 286 F HN 0.566 nan 8.300 nan 0.000 0.552 287 I N 3.300 123.338 120.570 -0.886 0.000 2.512 287 I HA 0.093 4.266 4.170 0.006 0.000 0.247 287 I C 0.102 175.541 176.117 -1.130 0.000 1.094 287 I CA 0.508 61.380 61.300 -0.712 0.000 1.427 287 I CB -0.162 37.589 38.000 -0.414 0.000 1.149 287 I HN 0.690 nan 8.210 nan 0.000 0.438 288 E N 0.471 119.836 120.200 -1.392 0.000 2.409 288 E HA 0.342 4.695 4.350 0.006 0.000 0.280 288 E C -1.092 175.163 176.600 -0.575 0.000 1.079 288 E CA -0.806 54.998 56.400 -0.993 0.000 0.840 288 E CB 1.612 31.082 29.700 -0.384 0.000 1.309 288 E HN 0.007 nan 8.360 nan 0.000 0.447 289 M N 2.609 122.096 119.600 -0.189 0.000 2.149 289 M HA 0.391 4.874 4.480 0.006 0.000 0.342 289 M C -1.379 174.792 176.300 -0.215 0.000 1.068 289 M CA -0.698 54.424 55.300 -0.297 0.000 0.991 289 M CB 0.995 33.289 32.600 -0.509 0.000 1.596 289 M HN 0.451 nan 8.290 nan 0.000 0.439 290 N N 3.525 122.115 118.700 -0.183 0.000 2.411 290 N HA 0.115 4.858 4.740 0.006 0.000 0.259 290 N C -0.825 174.653 175.510 -0.054 0.000 1.103 290 N CA 0.094 53.094 53.050 -0.084 0.000 0.954 290 N CB 1.175 39.636 38.487 -0.043 0.000 1.085 290 N HN 0.568 nan 8.380 nan 0.000 0.485 291 T N 4.213 118.775 114.554 0.014 0.000 3.162 291 T HA 0.295 4.649 4.350 0.006 0.000 0.316 291 T C 0.373 175.182 174.700 0.182 0.000 1.182 291 T CA -0.313 61.859 62.100 0.121 0.000 1.015 291 T CB -0.240 68.708 68.868 0.133 0.000 1.089 291 T HN 0.700 nan 8.240 nan 0.000 0.646 292 R N 1.146 121.757 120.500 0.185 0.000 3.309 292 R HA 0.235 4.579 4.340 0.006 0.000 0.273 292 R C -1.671 174.709 176.300 0.134 0.000 0.905 292 R CA -1.069 55.123 56.100 0.153 0.000 0.799 292 R CB -0.027 30.371 30.300 0.163 0.000 1.464 292 R HN 0.272 nan 8.270 nan 0.000 0.505 293 I N 1.104 121.752 120.570 0.130 0.000 2.581 293 I HA 0.201 4.375 4.170 0.006 0.000 0.288 293 I C -0.228 175.988 176.117 0.166 0.000 1.047 293 I CA -0.035 61.335 61.300 0.117 0.000 1.374 293 I CB 1.196 39.237 38.000 0.067 0.000 1.423 293 I HN 0.401 nan 8.210 nan 0.000 0.549 294 Q N 4.380 124.267 119.800 0.144 0.000 2.260 294 Q HA 0.228 4.571 4.340 0.006 0.000 0.242 294 Q C 0.994 177.083 176.000 0.149 0.000 0.932 294 Q CA -0.325 55.539 55.803 0.102 0.000 0.891 294 Q CB 1.908 30.698 28.738 0.087 0.000 1.222 294 Q HN 0.724 nan 8.270 nan 0.000 0.453 295 V N 1.900 121.714 119.914 -0.167 0.000 2.237 295 V HA -0.248 3.875 4.120 0.006 0.000 0.245 295 V C 1.735 177.789 176.094 -0.067 0.000 1.046 295 V CA 2.157 64.262 62.300 -0.324 0.000 1.007 295 V CB -0.587 30.864 31.823 -0.621 0.000 0.638 295 V HN 0.797 nan 8.190 nan 0.000 0.445 296 E N 1.848 121.996 120.200 -0.087 0.000 2.461 296 E HA -0.204 4.149 4.350 0.006 0.000 0.196 296 E C 1.705 178.271 176.600 -0.057 0.000 1.129 296 E CA 0.651 57.001 56.400 -0.084 0.000 0.902 296 E CB -1.034 28.630 29.700 -0.059 0.000 0.963 296 E HN 0.926 nan 8.360 nan 0.000 0.503 297 H N 1.140 120.221 119.070 0.018 0.000 2.362 297 H HA -0.082 4.478 4.556 0.006 0.000 0.294 297 H C -0.975 174.374 175.328 0.035 0.000 1.113 297 H CA 1.490 57.563 56.048 0.041 0.000 1.253 297 H CB -1.895 27.905 29.762 0.063 0.000 1.363 297 H HN 0.177 nan 8.280 nan 0.000 0.494 298 P HA -0.162 nan 4.420 nan 0.000 0.216 298 P C 2.350 179.618 177.300 -0.053 0.000 1.153 298 P CA 2.159 65.138 63.100 -0.203 0.000 0.858 298 P CB -0.368 31.186 31.700 -0.243 0.000 0.789 299 V N -3.305 116.582 119.914 -0.045 0.000 2.380 299 V HA -0.292 3.832 4.120 0.006 0.000 0.251 299 V C 1.957 178.059 176.094 0.013 0.000 1.063 299 V CA 2.687 64.981 62.300 -0.011 0.000 1.055 299 V CB -2.392 29.413 31.823 -0.031 0.000 0.657 299 V HN 0.093 nan 8.190 nan 0.000 0.455 300 T N 0.350 114.922 114.554 0.030 0.000 2.643 300 T HA -0.152 4.201 4.350 0.006 0.000 0.264 300 T C 1.799 176.535 174.700 0.061 0.000 1.045 300 T CA 1.940 64.071 62.100 0.053 0.000 1.155 300 T CB -0.401 68.517 68.868 0.084 0.000 0.863 300 T HN 0.700 nan 8.240 nan 0.000 0.420 301 E N 1.183 121.425 120.200 0.069 0.000 2.132 301 E HA -0.253 4.101 4.350 0.006 0.000 0.218 301 E C 2.248 178.871 176.600 0.038 0.000 1.058 301 E CA 1.522 57.958 56.400 0.060 0.000 0.882 301 E CB -0.451 29.284 29.700 0.058 0.000 0.774 301 E HN 0.416 nan 8.360 nan 0.000 0.467 302 M N 0.226 119.853 119.600 0.046 0.000 2.082 302 M HA -0.163 4.320 4.480 0.006 0.000 0.258 302 M C 2.782 179.157 176.300 0.125 0.000 1.069 302 M CA 1.459 56.792 55.300 0.055 0.000 1.102 302 M CB -1.270 31.455 32.600 0.209 0.000 1.336 302 M HN 0.270 nan 8.290 nan 0.000 0.404 303 I N -1.596 119.076 120.570 0.169 0.000 2.277 303 I HA -0.131 4.042 4.170 0.006 0.000 0.243 303 I C 2.309 178.490 176.117 0.108 0.000 1.094 303 I CA 1.879 63.289 61.300 0.184 0.000 1.393 303 I CB -1.018 37.030 38.000 0.081 0.000 1.078 303 I HN 0.291 nan 8.210 nan 0.000 0.417 304 T N -2.426 112.169 114.554 0.069 0.000 3.081 304 T HA 0.482 4.835 4.350 0.006 0.000 0.255 304 T C 1.609 176.336 174.700 0.045 0.000 1.113 304 T CA 0.539 62.673 62.100 0.057 0.000 1.082 304 T CB 0.220 69.117 68.868 0.049 0.000 0.939 304 T HN 0.774 nan 8.240 nan 0.000 0.506 305 G N 1.109 109.926 108.800 0.028 0.000 4.526 305 G HA2 -0.333 3.631 3.960 0.006 0.000 0.217 305 G HA3 -0.333 3.631 3.960 0.006 0.000 0.217 305 G C 0.443 175.354 174.900 0.018 0.000 1.428 305 G CA 0.117 45.224 45.100 0.011 0.000 0.928 305 G HN 1.320 nan 8.290 nan 0.000 0.639 306 V N 2.814 122.743 119.914 0.025 0.000 2.963 306 V HA 0.187 4.311 4.120 0.006 0.000 0.282 306 V C 0.199 176.315 176.094 0.037 0.000 1.426 306 V CA 1.390 63.706 62.300 0.027 0.000 1.447 306 V CB 0.886 32.727 31.823 0.028 0.000 0.849 306 V HN 0.674 nan 8.190 nan 0.000 0.500 307 D N 5.491 125.909 120.400 0.030 0.000 2.380 307 D HA 0.261 4.905 4.640 0.006 0.000 0.230 307 D C 0.809 177.129 176.300 0.033 0.000 1.154 307 D CA -0.068 53.953 54.000 0.036 0.000 0.859 307 D CB 1.218 42.031 40.800 0.022 0.000 1.045 307 D HN 0.563 nan 8.370 nan 0.000 0.495 308 L N 3.882 125.132 121.223 0.045 0.000 2.007 308 L HA -0.122 4.222 4.340 0.006 0.000 0.205 308 L C 2.170 179.031 176.870 -0.014 0.000 1.073 308 L CA 0.329 55.182 54.840 0.021 0.000 0.744 308 L CB -0.279 41.797 42.059 0.028 0.000 0.898 308 L HN 0.477 nan 8.230 nan 0.000 0.435 309 I N 0.547 121.087 120.570 -0.050 0.000 2.113 309 I HA -0.356 3.817 4.170 0.006 0.000 0.242 309 I C 2.484 178.605 176.117 0.006 0.000 1.064 309 I CA 1.777 63.057 61.300 -0.032 0.000 1.320 309 I CB -1.152 36.807 38.000 -0.067 0.000 1.028 309 I HN 0.318 nan 8.210 nan 0.000 0.406 310 K N 0.059 120.462 120.400 0.005 0.000 2.152 310 K HA -0.191 4.132 4.320 0.006 0.000 0.206 310 K C 1.995 178.601 176.600 0.009 0.000 1.048 310 K CA 1.061 57.352 56.287 0.007 0.000 0.933 310 K CB 0.004 32.507 32.500 0.005 0.000 0.721 310 K HN 0.349 nan 8.250 nan 0.000 0.447 311 E N 0.551 120.756 120.200 0.009 0.000 2.170 311 E HA -0.100 4.253 4.350 0.006 0.000 0.191 311 E C 1.977 178.577 176.600 -0.001 0.000 0.981 311 E CA 0.664 57.069 56.400 0.008 0.000 0.830 311 E CB 0.185 29.893 29.700 0.014 0.000 0.775 311 E HN 0.359 nan 8.360 nan 0.000 0.470 312 Q N 0.337 120.134 119.800 -0.005 0.000 2.045 312 Q HA -0.171 4.172 4.340 0.006 0.000 0.206 312 Q C 2.178 178.155 176.000 -0.038 0.000 0.991 312 Q CA 1.071 56.854 55.803 -0.034 0.000 0.851 312 Q CB -0.087 28.627 28.738 -0.039 0.000 0.911 312 Q HN 0.187 nan 8.270 nan 0.000 0.418 313 L N 0.590 121.811 121.223 -0.004 0.000 2.043 313 L HA -0.217 4.126 4.340 0.006 0.000 0.212 313 L C 2.264 179.136 176.870 0.003 0.000 1.075 313 L CA 1.840 56.685 54.840 0.007 0.000 0.752 313 L CB -1.100 40.981 42.059 0.036 0.000 0.891 313 L HN 0.253 nan 8.230 nan 0.000 0.432 314 R N -0.624 119.879 120.500 0.004 0.000 2.115 314 R HA -0.056 4.288 4.340 0.006 0.000 0.230 314 R C 2.312 178.609 176.300 -0.004 0.000 1.111 314 R CA 0.889 56.993 56.100 0.006 0.000 0.976 314 R CB -0.155 30.149 30.300 0.007 0.000 0.870 314 R HN 0.319 nan 8.270 nan 0.000 0.445 315 I N 0.141 120.701 120.570 -0.017 0.000 2.406 315 I HA -0.126 4.048 4.170 0.006 0.000 0.249 315 I C 2.352 178.448 176.117 -0.035 0.000 1.122 315 I CA 0.812 62.095 61.300 -0.028 0.000 1.431 315 I CB -0.186 37.790 38.000 -0.041 0.000 1.087 315 I HN 0.149 nan 8.210 nan 0.000 0.424 316 A N 0.678 123.471 122.820 -0.044 0.000 2.066 316 A HA 0.014 4.338 4.320 0.006 0.000 0.218 316 A C 2.422 179.993 177.584 -0.023 0.000 1.157 316 A CA 1.328 53.337 52.037 -0.047 0.000 0.670 316 A CB -0.550 18.404 19.000 -0.076 0.000 0.804 316 A HN 0.393 nan 8.150 nan 0.000 0.453 317 A N -1.518 121.295 122.820 -0.012 0.000 2.172 317 A HA 0.347 4.671 4.320 0.006 0.000 0.216 317 A C 1.850 179.430 177.584 -0.006 0.000 1.154 317 A CA 1.437 53.473 52.037 -0.003 0.000 0.701 317 A CB -0.841 18.166 19.000 0.010 0.000 0.789 317 A HN 1.849 nan 8.150 nan 0.000 0.465 318 G N -1.703 107.091 108.800 -0.010 0.000 2.134 318 G HA2 -0.206 3.757 3.960 0.006 0.000 0.209 318 G HA3 -0.206 3.757 3.960 0.006 0.000 0.209 318 G C -0.072 174.824 174.900 -0.007 0.000 0.993 318 G CA 0.165 45.259 45.100 -0.010 0.000 0.669 318 G HN 0.590 nan 8.290 nan 0.000 0.519 319 Q N 1.003 120.801 119.800 -0.005 0.000 2.279 319 Q HA 0.417 4.760 4.340 0.006 0.000 0.256 319 Q C -2.265 173.733 176.000 -0.003 0.000 0.937 319 Q CA -1.840 53.962 55.803 -0.002 0.000 0.933 319 Q CB 1.547 30.287 28.738 0.002 0.000 1.189 319 Q HN 0.195 nan 8.270 nan 0.000 0.417 320 P HA -0.029 nan 4.420 nan 0.000 0.271 320 P C -0.376 176.925 177.300 0.001 0.000 1.220 320 P CA -0.049 63.051 63.100 -0.000 0.000 0.768 320 P CB 0.400 32.100 31.700 0.001 0.000 0.848 321 L N 2.063 123.288 121.223 0.003 0.000 3.184 321 L HA -0.227 4.117 4.340 0.006 0.000 0.341 321 L C 1.907 178.777 176.870 0.000 0.000 1.112 321 L CA 0.425 55.267 54.840 0.004 0.000 0.842 321 L CB -0.564 41.500 42.059 0.009 0.000 1.260 321 L HN 0.550 nan 8.230 nan 0.000 0.573 322 S N 3.691 119.391 115.700 0.000 0.000 2.419 322 S HA -0.032 4.442 4.470 0.006 0.000 0.233 322 S C 0.791 175.388 174.600 -0.006 0.000 1.016 322 S CA 0.407 58.605 58.200 -0.002 0.000 0.974 322 S CB 0.046 63.245 63.200 -0.001 0.000 0.786 322 S HN 0.433 nan 8.310 nan 0.000 0.492 323 I N 1.781 122.346 120.570 -0.008 0.000 2.607 323 I HA 0.587 4.761 4.170 0.006 0.000 0.305 323 I C -0.074 176.028 176.117 -0.024 0.000 0.995 323 I CA -0.822 60.468 61.300 -0.016 0.000 1.148 323 I CB 1.535 39.525 38.000 -0.015 0.000 1.323 323 I HN 0.147 nan 8.210 nan 0.000 0.461 324 K N 3.706 124.084 120.400 -0.037 0.000 2.435 324 K HA 0.432 4.755 4.320 0.006 0.000 0.251 324 K C 0.309 176.862 176.600 -0.079 0.000 0.954 324 K CA -0.908 55.350 56.287 -0.048 0.000 0.820 324 K CB 1.630 34.108 32.500 -0.036 0.000 1.292 324 K HN 0.317 nan 8.250 nan 0.000 0.436 325 Q N 1.280 121.013 119.800 -0.112 0.000 2.096 325 Q HA -0.244 4.100 4.340 0.006 0.000 0.208 325 Q C 1.389 177.313 176.000 -0.126 0.000 0.993 325 Q CA 2.537 58.227 55.803 -0.188 0.000 0.862 325 Q CB -0.078 28.507 28.738 -0.255 0.000 0.915 325 Q HN 0.735 nan 8.270 nan 0.000 0.416 326 E N 0.174 120.323 120.200 -0.085 0.000 2.339 326 E HA -0.272 4.081 4.350 0.006 0.000 0.201 326 E C 1.043 177.587 176.600 -0.093 0.000 1.015 326 E CA 1.499 57.855 56.400 -0.073 0.000 0.841 326 E CB -0.157 29.510 29.700 -0.054 0.000 0.754 326 E HN 0.523 nan 8.360 nan 0.000 0.508 327 E N 0.742 120.893 120.200 -0.082 0.000 2.340 327 E HA 0.073 4.426 4.350 0.006 0.000 0.198 327 E C 0.092 176.662 176.600 -0.051 0.000 0.961 327 E CA 0.028 56.382 56.400 -0.076 0.000 0.905 327 E CB 0.729 30.398 29.700 -0.052 0.000 0.884 327 E HN 0.002 nan 8.360 nan 0.000 0.491 328 V N 2.495 122.383 119.914 -0.043 0.000 2.485 328 V HA 0.031 4.154 4.120 0.006 0.000 0.287 328 V C -0.390 175.782 176.094 0.130 0.000 1.022 328 V CA 0.385 62.685 62.300 -0.001 0.000 1.067 328 V CB -0.049 31.724 31.823 -0.083 0.000 0.967 328 V HN 0.216 nan 8.190 nan 0.000 0.479 329 H N 2.338 121.394 119.070 -0.023 0.000 2.759 329 H HA 0.508 5.066 4.556 0.004 0.000 0.354 329 H C -0.746 174.592 175.328 0.018 0.000 1.074 329 H CA -0.628 55.418 56.048 -0.003 0.000 1.226 329 H CB 2.043 31.807 29.762 0.004 0.000 1.648 329 H HN 0.430 nan 8.280 nan 0.000 0.529 330 V N 5.915 125.730 119.914 -0.166 0.000 2.439 330 V HA 0.298 4.422 4.120 0.006 0.000 0.271 330 V C 0.109 176.129 176.094 -0.125 0.000 1.040 330 V CA -0.003 62.226 62.300 -0.118 0.000 1.002 330 V CB 0.088 31.835 31.823 -0.127 0.000 1.000 330 V HN 0.620 nan 8.190 nan 0.000 0.477 331 R N 3.832 124.338 120.500 0.009 0.000 2.476 331 R HA 0.702 5.046 4.340 0.006 0.000 0.305 331 R C 0.471 176.846 176.300 0.126 0.000 0.965 331 R CA 0.001 56.142 56.100 0.068 0.000 0.867 331 R CB 1.858 32.234 30.300 0.126 0.000 1.176 331 R HN 1.040 nan 8.270 nan 0.000 0.447 332 G N 1.326 110.146 108.800 0.034 0.000 2.642 332 G HA2 -0.286 3.677 3.960 0.006 0.000 0.231 332 G HA3 -0.286 3.677 3.960 0.006 0.000 0.231 332 G C -1.216 173.609 174.900 -0.126 0.000 1.338 332 G CA -0.286 44.741 45.100 -0.122 0.000 0.883 332 G HN 0.721 nan 8.290 nan 0.000 0.570 333 H N -0.478 118.327 119.070 -0.443 0.000 2.821 333 H HA 0.783 5.342 4.556 0.006 0.000 0.373 333 H C 0.093 175.235 175.328 -0.311 0.000 1.165 333 H CA 0.521 56.398 56.048 -0.286 0.000 1.154 333 H CB 1.782 31.408 29.762 -0.227 0.000 1.765 333 H HN 1.407 nan 8.280 nan 0.000 0.549 334 A N 3.005 125.594 122.820 -0.385 0.000 2.398 334 A HA 0.632 4.955 4.320 0.006 0.000 0.301 334 A C -1.543 175.965 177.584 -0.127 0.000 1.041 334 A CA -0.564 51.386 52.037 -0.145 0.000 0.711 334 A CB 1.183 20.176 19.000 -0.011 0.000 1.240 334 A HN 0.436 nan 8.150 nan 0.000 0.420 335 V N 1.774 121.698 119.914 0.017 0.000 2.604 335 V HA 0.540 4.664 4.120 0.006 0.000 0.305 335 V C -0.116 176.020 176.094 0.070 0.000 1.043 335 V CA -0.516 61.832 62.300 0.079 0.000 0.888 335 V CB 1.740 33.667 31.823 0.174 0.000 0.995 335 V HN 0.957 nan 8.190 nan 0.000 0.429 336 E N 2.670 122.903 120.200 0.055 0.000 2.187 336 E HA 0.500 4.854 4.350 0.006 0.000 0.268 336 E C -1.606 175.013 176.600 0.033 0.000 0.896 336 E CA -0.472 55.949 56.400 0.036 0.000 0.766 336 E CB 1.668 31.367 29.700 -0.002 0.000 1.142 336 E HN 0.766 nan 8.360 nan 0.000 0.408 337 C N 4.843 124.172 119.300 0.048 0.000 2.281 337 C HA 0.445 4.909 4.460 0.006 0.000 0.323 337 C C 0.251 175.270 174.990 0.049 0.000 1.270 337 C CA -0.813 58.229 59.018 0.040 0.000 1.559 337 C CB 0.039 27.816 27.740 0.061 0.000 2.239 337 C HN 0.688 nan 8.230 nan 0.000 0.488 338 R N 2.877 123.390 120.500 0.021 0.000 2.489 338 R HA 0.328 4.672 4.340 0.006 0.000 0.287 338 R C -0.342 175.997 176.300 0.066 0.000 1.053 338 R CA 0.073 56.187 56.100 0.025 0.000 1.036 338 R CB 0.394 30.694 30.300 0.000 0.000 0.966 338 R HN 0.560 nan 8.270 nan 0.000 0.432 339 I N 3.221 123.843 120.570 0.086 0.000 2.339 339 I HA 0.227 4.400 4.170 0.006 0.000 0.290 339 I C -0.174 176.009 176.117 0.109 0.000 0.994 339 I CA -0.605 60.775 61.300 0.132 0.000 1.191 339 I CB 1.121 39.265 38.000 0.240 0.000 1.343 339 I HN 0.557 nan 8.210 nan 0.000 0.458 340 N N 3.729 122.494 118.700 0.110 0.000 2.362 340 N HA 0.542 5.286 4.740 0.006 0.000 0.298 340 N C -0.076 175.495 175.510 0.102 0.000 1.048 340 N CA -0.623 52.489 53.050 0.104 0.000 0.858 340 N CB 2.088 40.638 38.487 0.106 0.000 1.218 340 N HN 0.719 nan 8.380 nan 0.000 0.488 341 A N 1.994 124.874 122.820 0.100 0.000 2.899 341 A HA 0.095 4.419 4.320 0.006 0.000 0.287 341 A C 0.029 177.655 177.584 0.070 0.000 1.715 341 A CA 0.496 52.583 52.037 0.084 0.000 1.393 341 A CB -0.499 18.555 19.000 0.091 0.000 1.070 341 A HN 0.695 nan 8.150 nan 0.000 0.587 342 E N 0.206 120.443 120.200 0.062 0.000 2.445 342 E HA 0.272 4.625 4.350 0.006 0.000 0.273 342 E C -1.562 175.037 176.600 -0.001 0.000 0.961 342 E CA -0.859 55.573 56.400 0.053 0.000 0.807 342 E CB 1.675 31.438 29.700 0.105 0.000 1.362 342 E HN 0.520 nan 8.360 nan 0.000 0.453 343 D N 1.356 121.723 120.400 -0.054 0.000 2.303 343 D HA 0.217 4.861 4.640 0.006 0.000 0.236 343 D C -2.059 174.037 176.300 -0.341 0.000 1.068 343 D CA -2.126 51.790 54.000 -0.141 0.000 0.830 343 D CB 1.584 42.306 40.800 -0.131 0.000 1.109 343 D HN 0.003 nan 8.370 nan 0.000 0.496 344 P HA 0.004 nan 4.420 nan 0.000 0.250 344 P C 0.013 176.870 177.300 -0.738 0.000 1.239 344 P CA 0.591 63.416 63.100 -0.458 0.000 0.756 344 P CB 0.367 31.966 31.700 -0.168 0.000 1.013 345 N N -1.251 117.035 118.700 -0.690 0.000 3.189 345 N HA 0.006 4.749 4.740 0.006 0.000 0.204 345 N C 0.412 175.617 175.510 -0.508 0.000 1.231 345 N CA 0.573 53.306 53.050 -0.528 0.000 1.130 345 N CB -1.046 37.303 38.487 -0.230 0.000 1.393 345 N HN -0.021 nan 8.380 nan 0.000 0.540 346 T N 0.586 114.993 114.554 -0.246 0.000 3.416 346 T HA 0.172 4.525 4.350 0.006 0.000 0.247 346 T C 0.131 174.789 174.700 -0.069 0.000 0.973 346 T CA -0.302 61.741 62.100 -0.096 0.000 1.166 346 T CB -1.940 66.897 68.868 -0.050 0.000 1.040 346 T HN 0.110 nan 8.240 nan 0.000 0.746 347 F N 2.975 122.926 119.950 0.001 0.000 2.646 347 F HA 0.260 4.790 4.527 0.006 0.000 0.320 347 F C 0.664 176.467 175.800 0.006 0.000 1.307 347 F CA -0.051 57.951 58.000 0.004 0.000 1.431 347 F CB -0.536 38.465 39.000 0.002 0.000 1.297 347 F HN 0.454 nan 8.300 nan 0.000 0.556 348 L N 0.443 121.736 121.223 0.115 0.000 2.365 348 L HA 0.459 4.803 4.340 0.006 0.000 0.273 348 L C -2.087 174.812 176.870 0.048 0.000 1.000 348 L CA -2.444 52.445 54.840 0.082 0.000 0.819 348 L CB 1.578 43.671 42.059 0.058 0.000 1.284 348 L HN -0.155 nan 8.230 nan 0.000 0.418 349 P HA -0.161 nan 4.420 nan 0.000 0.268 349 P C -0.501 176.807 177.300 0.012 0.000 1.171 349 P CA 0.448 63.569 63.100 0.036 0.000 0.761 349 P CB 0.421 32.138 31.700 0.028 0.000 0.786 350 S N 2.494 118.203 115.700 0.015 0.000 2.112 350 S HA 0.367 4.841 4.470 0.006 0.000 0.151 350 S C -2.381 172.220 174.600 0.001 0.000 1.723 350 S CA -1.600 56.602 58.200 0.002 0.000 1.263 350 S CB -0.232 62.972 63.200 0.005 0.000 1.194 350 S HN 0.169 nan 8.310 nan 0.000 0.419 351 P HA 0.588 nan 4.420 nan 0.000 0.274 351 P C 0.562 177.839 177.300 -0.039 0.000 1.260 351 P CA 0.443 63.522 63.100 -0.036 0.000 0.793 351 P CB 0.321 31.965 31.700 -0.093 0.000 1.048 352 G N -1.227 107.540 108.800 -0.054 0.000 2.371 352 G HA2 -0.033 3.931 3.960 0.006 0.000 0.663 352 G HA3 -0.033 3.931 3.960 0.006 0.000 0.663 352 G C -1.375 173.492 174.900 -0.056 0.000 1.311 352 G CA -0.846 44.223 45.100 -0.052 0.000 0.985 352 G HN 0.658 nan 8.290 nan 0.000 0.566 353 K N -0.113 120.259 120.400 -0.046 0.000 2.322 353 K HA 0.495 4.818 4.320 0.006 0.000 0.283 353 K C 0.428 177.028 176.600 0.001 0.000 1.042 353 K CA -0.478 55.785 56.287 -0.041 0.000 0.958 353 K CB 0.305 32.789 32.500 -0.026 0.000 0.984 353 K HN 0.358 nan 8.250 nan 0.000 0.473 354 I N 5.028 125.608 120.570 0.017 0.000 2.347 354 I HA -0.059 4.115 4.170 0.006 0.000 0.294 354 I C 1.705 177.868 176.117 0.077 0.000 1.090 354 I CA -0.120 61.217 61.300 0.061 0.000 1.314 354 I CB 0.997 39.043 38.000 0.076 0.000 1.423 354 I HN 0.839 nan 8.210 nan 0.000 0.503 355 T N 3.242 117.839 114.554 0.072 0.000 2.812 355 T HA -0.096 4.258 4.350 0.006 0.000 0.264 355 T C 0.977 175.737 174.700 0.100 0.000 1.042 355 T CA 0.559 62.702 62.100 0.072 0.000 1.140 355 T CB 0.109 69.007 68.868 0.050 0.000 0.870 355 T HN 0.565 nan 8.240 nan 0.000 0.445 356 R N -0.354 120.216 120.500 0.118 0.000 2.574 356 R HA 0.574 4.918 4.340 0.006 0.000 0.288 356 R C -2.253 174.174 176.300 0.211 0.000 1.004 356 R CA -1.079 55.103 56.100 0.138 0.000 0.895 356 R CB 1.483 31.829 30.300 0.078 0.000 1.191 356 R HN 0.319 nan 8.270 nan 0.000 0.444 357 F N 3.843 123.834 119.950 0.068 0.000 2.562 357 F HA 0.393 4.924 4.527 0.006 0.000 0.319 357 F C -1.690 174.155 175.800 0.076 0.000 1.154 357 F CA -0.627 57.406 58.000 0.056 0.000 0.931 357 F CB 1.577 40.615 39.000 0.063 0.000 1.198 357 F HN 0.742 nan 8.300 nan 0.000 0.444 358 H N 4.746 123.257 119.070 -0.932 0.000 2.727 358 H HA 0.735 5.294 4.556 0.006 0.000 0.330 358 H C -0.974 173.642 175.328 -1.187 0.000 0.986 358 H CA -0.368 55.140 56.048 -0.900 0.000 1.251 358 H CB 1.519 31.031 29.762 -0.417 0.000 1.493 358 H HN 0.904 nan 8.280 nan 0.000 0.515 359 A N 6.391 128.255 122.820 -1.592 0.000 2.371 359 A HA 0.404 4.727 4.320 0.006 0.000 0.257 359 A C -2.199 174.891 177.584 -0.825 0.000 1.089 359 A CA -1.278 50.026 52.037 -1.223 0.000 0.794 359 A CB -0.124 18.327 19.000 -0.915 0.000 1.029 359 A HN 0.679 nan 8.150 nan 0.000 0.488 360 P HA 0.481 nan 4.420 nan 0.000 0.274 360 P C 0.121 177.326 177.300 -0.158 0.000 1.246 360 P CA 0.134 63.072 63.100 -0.271 0.000 0.795 360 P CB 1.348 32.935 31.700 -0.188 0.000 1.006 361 G N -1.986 106.784 108.800 -0.050 0.000 2.721 361 G HA2 0.667 4.630 3.960 0.006 0.000 0.296 361 G HA3 0.667 4.630 3.960 0.006 0.000 0.296 361 G C -0.508 174.427 174.900 0.057 0.000 1.383 361 G CA -0.255 44.849 45.100 0.008 0.000 0.788 361 G HN 0.819 nan 8.290 nan 0.000 0.500 362 G N -1.515 107.334 108.800 0.082 0.000 2.549 362 G HA2 0.326 4.289 3.960 0.006 0.000 0.404 362 G HA3 0.326 4.289 3.960 0.006 0.000 0.404 362 G C -0.595 174.437 174.900 0.220 0.000 1.292 362 G CA -0.245 44.931 45.100 0.125 0.000 0.935 362 G HN 1.494 nan 8.290 nan 0.000 0.512 363 F N 2.429 122.406 119.950 0.045 0.000 2.538 363 F HA 0.464 4.993 4.527 0.003 0.000 0.371 363 F C 1.808 177.659 175.800 0.085 0.000 1.087 363 F CA 0.772 58.806 58.000 0.057 0.000 1.250 363 F CB 0.627 39.661 39.000 0.056 0.000 1.110 363 F HN 2.189 nan 8.300 nan 0.000 0.570 364 G N 3.642 112.531 108.800 0.149 0.000 2.284 364 G HA2 -0.232 3.731 3.960 0.006 0.000 0.261 364 G HA3 -0.232 3.731 3.960 0.006 0.000 0.261 364 G C -0.040 174.932 174.900 0.120 0.000 0.997 364 G CA 0.233 45.358 45.100 0.042 0.000 0.621 364 G HN 0.717 nan 8.290 nan 0.000 0.534 365 V N 1.570 121.563 119.914 0.132 0.000 2.530 365 V HA 0.624 4.748 4.120 0.006 0.000 0.282 365 V C 0.695 176.876 176.094 0.146 0.000 1.048 365 V CA 0.033 62.412 62.300 0.132 0.000 0.997 365 V CB 1.519 33.410 31.823 0.113 0.000 0.987 365 V HN 0.541 nan 8.190 nan 0.000 0.477 366 R N 4.832 125.430 120.500 0.164 0.000 2.575 366 R HA 0.349 4.693 4.340 0.006 0.000 0.293 366 R C -1.723 174.731 176.300 0.257 0.000 0.983 366 R CA -0.644 55.557 56.100 0.168 0.000 0.887 366 R CB 1.704 32.064 30.300 0.101 0.000 1.184 366 R HN 0.849 nan 8.270 nan 0.000 0.445 367 W N 6.130 127.452 121.300 0.036 0.000 2.600 367 W HA 0.383 5.046 4.660 0.005 0.000 0.325 367 W C -1.436 175.108 176.519 0.041 0.000 1.034 367 W CA -0.567 56.805 57.345 0.045 0.000 1.226 367 W CB 1.885 31.380 29.460 0.058 0.000 1.379 367 W HN 0.564 nan 8.180 nan 0.000 0.466 368 E N 4.644 124.490 120.200 -0.589 0.000 2.141 368 E HA 0.329 4.683 4.350 0.006 0.000 0.259 368 E C -1.130 174.981 176.600 -0.815 0.000 0.883 368 E CA -0.245 55.841 56.400 -0.525 0.000 0.744 368 E CB 2.069 31.601 29.700 -0.280 0.000 1.150 368 E HN 0.299 nan 8.360 nan 0.000 0.420 369 S N 1.408 116.701 115.700 -0.678 0.000 2.543 369 S HA 0.187 4.660 4.470 0.006 0.000 0.274 369 S C -0.157 174.291 174.600 -0.254 0.000 1.149 369 S CA -0.663 57.189 58.200 -0.581 0.000 0.866 369 S CB 0.649 63.336 63.200 -0.855 0.000 1.111 369 S HN 0.640 nan 8.310 nan 0.000 0.457 370 H N 3.237 122.145 119.070 -0.269 0.000 2.594 370 H HA 0.363 4.923 4.556 0.006 0.000 0.279 370 H C 0.834 175.930 175.328 -0.386 0.000 1.042 370 H CA -0.157 55.759 56.048 -0.221 0.000 1.177 370 H CB -0.480 29.162 29.762 -0.201 0.000 1.524 370 H HN 0.625 nan 8.280 nan 0.000 0.537 371 I N -0.599 119.449 120.570 -0.871 0.000 3.244 371 I HA 0.530 4.703 4.170 0.006 0.000 0.314 371 I C -0.720 175.006 176.117 -0.651 0.000 1.043 371 I CA -1.259 59.413 61.300 -1.046 0.000 1.099 371 I CB 1.211 38.669 38.000 -0.903 0.000 1.449 371 I HN 0.042 nan 8.210 nan 0.000 0.625 372 Y N 0.134 120.083 120.300 -0.585 0.000 2.841 372 Y HA 0.610 5.163 4.550 0.006 0.000 0.373 372 Y C -0.783 175.089 175.900 -0.047 0.000 1.170 372 Y CA -1.376 56.519 58.100 -0.341 0.000 1.196 372 Y CB -0.062 38.346 38.460 -0.088 0.000 1.433 372 Y HN 0.864 nan 8.280 nan 0.000 0.479 373 A N 1.333 124.380 122.820 0.378 0.000 2.548 373 A HA 0.438 4.761 4.320 0.006 0.000 0.247 373 A C 1.467 179.245 177.584 0.323 0.000 1.067 373 A CA 1.450 53.679 52.037 0.319 0.000 0.757 373 A CB -1.173 18.009 19.000 0.304 0.000 0.996 373 A HN 2.434 nan 8.150 nan 0.000 0.504 374 G N 0.795 109.710 108.800 0.191 0.000 2.258 374 G HA2 -0.268 3.695 3.960 0.006 0.000 0.233 374 G HA3 -0.268 3.695 3.960 0.006 0.000 0.233 374 G C 0.244 175.193 174.900 0.082 0.000 1.006 374 G CA 0.378 45.580 45.100 0.169 0.000 0.620 374 G HN 1.504 nan 8.290 nan 0.000 0.511 375 Y N 2.706 122.857 120.300 -0.249 0.000 2.511 375 Y HA 0.498 5.052 4.550 0.006 0.000 0.332 375 Y C 0.337 176.113 175.900 -0.206 0.000 1.177 375 Y CA 1.103 58.928 58.100 -0.457 0.000 1.422 375 Y CB 0.983 38.830 38.460 -1.020 0.000 1.271 375 Y HN 0.056 nan 8.280 nan 0.000 0.550 376 T N 6.784 120.835 114.554 -0.838 0.000 2.821 376 T HA 0.291 4.644 4.350 0.006 0.000 0.307 376 T C -0.773 173.523 174.700 -0.673 0.000 1.034 376 T CA -0.617 61.167 62.100 -0.527 0.000 0.953 376 T CB 0.180 68.861 68.868 -0.312 0.000 0.968 376 T HN 0.459 nan 8.240 nan 0.000 0.462 377 V N 8.217 127.975 119.914 -0.260 0.000 2.485 377 V HA 0.166 4.290 4.120 0.006 0.000 0.287 377 V C -1.528 174.543 176.094 -0.038 0.000 1.022 377 V CA -1.308 60.995 62.300 0.004 0.000 1.067 377 V CB -0.016 31.892 31.823 0.143 0.000 0.967 377 V HN 0.667 nan 8.190 nan 0.000 0.479 378 P HA 0.267 nan 4.420 nan 0.000 0.276 378 P C -2.157 175.026 177.300 -0.194 0.000 1.252 378 P CA -1.798 61.267 63.100 -0.058 0.000 0.802 378 P CB 0.671 32.473 31.700 0.171 0.000 1.035 379 P HA -0.082 nan 4.420 nan 0.000 0.227 379 P C 0.893 177.912 177.300 -0.468 0.000 1.161 379 P CA 1.351 64.153 63.100 -0.497 0.000 0.788 379 P CB -0.069 31.253 31.700 -0.630 0.000 0.822 380 Y N -0.003 120.162 120.300 -0.225 0.000 2.228 380 Y HA -0.034 4.519 4.550 0.006 0.000 0.267 380 Y C 1.796 177.580 175.900 -0.194 0.000 1.072 380 Y CA 0.230 58.127 58.100 -0.338 0.000 1.068 380 Y CB -2.064 35.956 38.460 -0.734 0.000 1.015 380 Y HN -0.214 nan 8.280 nan 0.000 0.474 381 Y N 1.595 122.109 120.300 0.356 0.000 2.554 381 Y HA -0.091 4.463 4.550 0.006 0.000 0.353 381 Y C 0.815 176.817 175.900 0.170 0.000 1.269 381 Y CA -0.617 57.647 58.100 0.273 0.000 1.494 381 Y CB -0.210 38.426 38.460 0.293 0.000 1.365 381 Y HN 0.182 nan 8.280 nan 0.000 0.664 382 D N 0.057 120.635 120.400 0.296 0.000 2.567 382 D HA -0.121 4.522 4.640 0.006 0.000 0.228 382 D C 1.050 177.446 176.300 0.160 0.000 1.185 382 D CA 0.947 55.046 54.000 0.165 0.000 0.874 382 D CB 0.623 41.490 40.800 0.111 0.000 1.219 382 D HN 0.538 nan 8.370 nan 0.000 0.494 383 S N 2.615 118.384 115.700 0.115 0.000 2.515 383 S HA -0.109 4.365 4.470 0.006 0.000 0.231 383 S C 1.164 175.836 174.600 0.120 0.000 0.987 383 S CA -0.100 58.167 58.200 0.112 0.000 0.936 383 S CB -0.239 63.017 63.200 0.093 0.000 0.766 383 S HN 0.592 nan 8.310 nan 0.000 0.528 384 M N 2.737 122.407 119.600 0.118 0.000 2.184 384 M HA 0.297 4.781 4.480 0.006 0.000 0.351 384 M C 0.686 177.076 176.300 0.150 0.000 1.395 384 M CA -0.094 55.272 55.300 0.109 0.000 1.117 384 M CB 0.619 33.268 32.600 0.082 0.000 1.708 384 M HN 0.469 nan 8.290 nan 0.000 0.468 385 I N 1.126 121.763 120.570 0.112 0.000 4.187 385 I HA 0.560 4.734 4.170 0.006 0.000 0.326 385 I C 0.504 176.571 176.117 -0.083 0.000 1.302 385 I CA -0.192 61.149 61.300 0.069 0.000 1.196 385 I CB 0.515 38.533 38.000 0.029 0.000 1.095 385 I HN 0.649 nan 8.210 nan 0.000 0.411 386 G N 1.225 109.974 108.800 -0.084 0.000 2.523 386 G HA2 0.481 4.445 3.960 0.006 0.000 0.291 386 G HA3 0.481 4.445 3.960 0.006 0.000 0.291 386 G C -1.926 172.826 174.900 -0.247 0.000 1.450 386 G CA -0.792 44.104 45.100 -0.341 0.000 0.790 386 G HN 0.036 nan 8.290 nan 0.000 0.496 387 K N 0.024 120.196 120.400 -0.380 0.000 2.463 387 K HA 0.505 4.829 4.320 0.006 0.000 0.255 387 K C -1.389 175.135 176.600 -0.128 0.000 0.942 387 K CA -0.764 55.417 56.287 -0.176 0.000 0.814 387 K CB 2.588 35.006 32.500 -0.137 0.000 1.122 387 K HN 0.293 nan 8.250 nan 0.000 0.425 388 L N 5.275 126.563 121.223 0.108 0.000 2.262 388 L HA 0.470 4.814 4.340 0.006 0.000 0.288 388 L C -1.426 175.536 176.870 0.153 0.000 1.035 388 L CA -0.391 54.620 54.840 0.285 0.000 0.820 388 L CB 0.606 42.910 42.059 0.409 0.000 1.204 388 L HN 0.482 nan 8.230 nan 0.000 0.424 389 I N 5.079 125.729 120.570 0.134 0.000 2.382 389 I HA 0.379 4.552 4.170 0.006 0.000 0.286 389 I C -0.544 175.645 176.117 0.119 0.000 1.002 389 I CA -0.069 61.287 61.300 0.093 0.000 1.135 389 I CB 1.440 39.467 38.000 0.046 0.000 1.288 389 I HN 0.479 nan 8.210 nan 0.000 0.448 390 C N 5.333 124.701 119.300 0.112 0.000 2.355 390 C HA 0.503 4.966 4.460 0.006 0.000 0.332 390 C C -0.342 174.720 174.990 0.120 0.000 1.255 390 C CA -0.715 58.371 59.018 0.114 0.000 1.792 390 C CB 0.630 28.426 27.740 0.093 0.000 2.300 390 C HN 0.677 nan 8.230 nan 0.000 0.515 391 Y N 1.487 121.779 120.300 -0.014 0.000 2.409 391 Y HA 0.706 5.258 4.550 0.005 0.000 0.339 391 Y C 0.263 176.117 175.900 -0.076 0.000 1.033 391 Y CA 0.129 58.204 58.100 -0.041 0.000 1.094 391 Y CB 1.305 39.728 38.460 -0.063 0.000 1.210 391 Y HN 0.807 nan 8.280 nan 0.000 0.456 392 G N 3.088 111.442 108.800 -0.743 0.000 2.680 392 G HA2 0.270 4.234 3.960 0.006 0.000 0.290 392 G HA3 0.270 4.234 3.960 0.006 0.000 0.290 392 G C -0.493 173.957 174.900 -0.751 0.000 1.355 392 G CA -0.595 44.183 45.100 -0.537 0.000 0.903 392 G HN 0.750 nan 8.290 nan 0.000 0.474 393 E N -0.997 119.000 120.200 -0.338 0.000 2.274 393 E HA -0.011 4.342 4.350 0.006 0.000 0.194 393 E C 0.715 177.211 176.600 -0.173 0.000 0.996 393 E CA 1.073 57.356 56.400 -0.195 0.000 0.840 393 E CB -0.199 29.456 29.700 -0.074 0.000 0.772 393 E HN 0.493 nan 8.360 nan 0.000 0.491 394 N N -1.030 117.559 118.700 -0.185 0.000 3.204 394 N HA 0.144 4.887 4.740 0.006 0.000 0.285 394 N C 0.085 175.460 175.510 -0.224 0.000 1.536 394 N CA -0.941 52.003 53.050 -0.176 0.000 0.832 394 N CB 0.930 39.324 38.487 -0.155 0.000 1.645 394 N HN -0.122 nan 8.380 nan 0.000 0.586 395 R N -0.651 119.598 120.500 -0.419 0.000 2.075 395 R HA -0.081 4.262 4.340 0.006 0.000 0.232 395 R C 0.254 176.388 176.300 -0.277 0.000 1.126 395 R CA 1.870 57.619 56.100 -0.585 0.000 0.963 395 R CB -0.434 29.348 30.300 -0.863 0.000 0.858 395 R HN 0.625 nan 8.270 nan 0.000 0.435 396 D N -0.058 120.207 120.400 -0.225 0.000 2.092 396 D HA -0.159 4.485 4.640 0.006 0.000 0.193 396 D C 1.913 178.156 176.300 -0.094 0.000 0.994 396 D CA 1.259 55.174 54.000 -0.143 0.000 0.828 396 D CB -0.410 40.319 40.800 -0.118 0.000 0.963 396 D HN 0.095 nan 8.370 nan 0.000 0.450 397 V N 1.154 121.009 119.914 -0.098 0.000 2.515 397 V HA -0.204 3.920 4.120 0.006 0.000 0.250 397 V C 2.344 178.399 176.094 -0.064 0.000 1.058 397 V CA 1.613 63.869 62.300 -0.073 0.000 1.064 397 V CB -0.531 31.242 31.823 -0.083 0.000 0.675 397 V HN 0.181 nan 8.190 nan 0.000 0.461 398 A N 0.197 122.970 122.820 -0.079 0.000 1.832 398 A HA -0.182 4.142 4.320 0.006 0.000 0.214 398 A C 2.099 179.696 177.584 0.020 0.000 1.200 398 A CA 1.971 53.988 52.037 -0.034 0.000 0.610 398 A CB -0.615 18.384 19.000 -0.001 0.000 0.842 398 A HN 0.463 nan 8.150 nan 0.000 0.444 399 I N 0.087 120.671 120.570 0.023 0.000 2.236 399 I HA -0.361 3.812 4.170 0.006 0.000 0.249 399 I C 2.873 179.027 176.117 0.062 0.000 1.102 399 I CA 1.178 62.523 61.300 0.074 0.000 1.365 399 I CB -0.326 37.693 38.000 0.032 0.000 1.051 399 I HN 0.392 nan 8.210 nan 0.000 0.420 400 A N 0.447 123.281 122.820 0.023 0.000 1.930 400 A HA -0.190 4.133 4.320 0.006 0.000 0.217 400 A C 2.408 180.011 177.584 0.031 0.000 1.175 400 A CA 1.429 53.480 52.037 0.022 0.000 0.627 400 A CB -0.464 18.538 19.000 0.003 0.000 0.815 400 A HN 0.291 nan 8.150 nan 0.000 0.443 401 R N -1.756 118.762 120.500 0.029 0.000 2.061 401 R HA -0.099 4.244 4.340 0.006 0.000 0.230 401 R C 2.259 178.590 176.300 0.052 0.000 1.140 401 R CA 1.776 57.899 56.100 0.038 0.000 0.940 401 R CB -0.387 29.932 30.300 0.032 0.000 0.839 401 R HN 0.506 nan 8.270 nan 0.000 0.429 402 M N 1.412 121.051 119.600 0.066 0.000 2.089 402 M HA -0.282 4.201 4.480 0.006 0.000 0.257 402 M C 1.989 178.328 176.300 0.065 0.000 1.071 402 M CA 1.857 57.203 55.300 0.077 0.000 1.096 402 M CB -0.240 32.419 32.600 0.100 0.000 1.330 402 M HN -0.032 nan 8.290 nan 0.000 0.403 403 K N -0.507 119.933 120.400 0.066 0.000 2.074 403 K HA -0.226 4.097 4.320 0.006 0.000 0.209 403 K C 1.590 178.213 176.600 0.038 0.000 1.048 403 K CA 2.283 58.603 56.287 0.055 0.000 0.926 403 K CB -0.323 32.212 32.500 0.057 0.000 0.713 403 K HN 0.650 nan 8.250 nan 0.000 0.444 404 N N -0.458 118.264 118.700 0.036 0.000 2.354 404 N HA -0.048 4.696 4.740 0.006 0.000 0.179 404 N C 1.681 177.202 175.510 0.018 0.000 1.021 404 N CA 0.499 53.564 53.050 0.025 0.000 0.887 404 N CB 0.011 38.514 38.487 0.027 0.000 0.974 404 N HN 0.212 nan 8.380 nan 0.000 0.437 405 A N 1.341 124.176 122.820 0.026 0.000 1.933 405 A HA -0.090 4.233 4.320 0.006 0.000 0.218 405 A C 2.101 179.678 177.584 -0.013 0.000 1.175 405 A CA 1.007 53.051 52.037 0.012 0.000 0.628 405 A CB -0.641 18.383 19.000 0.041 0.000 0.814 405 A HN 0.172 nan 8.150 nan 0.000 0.444 406 L N -1.356 119.873 121.223 0.010 0.000 2.093 406 L HA -0.237 4.107 4.340 0.006 0.000 0.208 406 L C 2.870 179.731 176.870 -0.015 0.000 1.085 406 L CA 1.520 56.364 54.840 0.006 0.000 0.755 406 L CB -0.476 41.600 42.059 0.029 0.000 0.904 406 L HN 0.373 nan 8.230 nan 0.000 0.435 407 Q N 0.052 119.846 119.800 -0.009 0.000 2.050 407 Q HA -0.214 4.130 4.340 0.006 0.000 0.202 407 Q C 2.112 178.090 176.000 -0.036 0.000 0.980 407 Q CA 1.620 57.413 55.803 -0.017 0.000 0.840 407 Q CB -0.083 28.650 28.738 -0.009 0.000 0.898 407 Q HN 0.432 nan 8.270 nan 0.000 0.424 408 E N 0.005 120.182 120.200 -0.040 0.000 2.097 408 E HA -0.180 4.173 4.350 0.006 0.000 0.196 408 E C 0.101 176.648 176.600 -0.089 0.000 1.000 408 E CA 0.117 56.489 56.400 -0.047 0.000 0.804 408 E CB -0.300 29.380 29.700 -0.034 0.000 0.740 408 E HN 0.148 nan 8.360 nan 0.000 0.454 409 L N 1.753 122.890 121.223 -0.144 0.000 2.601 409 L HA -0.001 4.342 4.340 0.006 0.000 0.277 409 L C -0.397 176.376 176.870 -0.163 0.000 1.219 409 L CA 1.052 55.748 54.840 -0.239 0.000 0.915 409 L CB 0.140 42.067 42.059 -0.219 0.000 1.160 409 L HN -0.027 nan 8.230 nan 0.000 0.494 410 I N 7.010 127.445 120.570 -0.225 0.000 2.439 410 I HA 0.366 4.539 4.170 0.006 0.000 0.285 410 I C -0.740 175.359 176.117 -0.031 0.000 1.021 410 I CA -0.273 60.959 61.300 -0.113 0.000 1.091 410 I CB 1.288 39.232 38.000 -0.094 0.000 1.242 410 I HN 0.476 nan 8.210 nan 0.000 0.439 411 I N 5.601 126.218 120.570 0.079 0.000 2.493 411 I HA 0.316 4.489 4.170 0.006 0.000 0.279 411 I C -1.187 174.996 176.117 0.110 0.000 1.045 411 I CA -0.508 60.903 61.300 0.185 0.000 1.106 411 I CB 1.337 39.479 38.000 0.237 0.000 1.216 411 I HN 0.388 nan 8.210 nan 0.000 0.459 412 D N 3.925 124.386 120.400 0.102 0.000 2.272 412 D HA 0.655 5.299 4.640 0.006 0.000 0.247 412 D C 0.994 177.332 176.300 0.065 0.000 0.990 412 D CA 0.127 54.166 54.000 0.065 0.000 0.931 412 D CB 2.139 42.968 40.800 0.049 0.000 1.195 412 D HN 0.750 nan 8.370 nan 0.000 0.477 413 G N 0.012 108.838 108.800 0.042 0.000 2.232 413 G HA2 -0.177 3.787 3.960 0.006 0.000 0.226 413 G HA3 -0.177 3.787 3.960 0.006 0.000 0.226 413 G C 0.273 175.187 174.900 0.024 0.000 0.996 413 G CA 0.321 45.440 45.100 0.032 0.000 0.626 413 G HN 0.627 nan 8.290 nan 0.000 0.509 414 I N -3.054 117.536 120.570 0.033 0.000 2.969 414 I HA 0.760 4.934 4.170 0.006 0.000 0.307 414 I C -0.460 175.673 176.117 0.026 0.000 1.149 414 I CA -1.595 59.721 61.300 0.027 0.000 1.008 414 I CB 1.753 39.776 38.000 0.039 0.000 1.232 414 I HN -0.236 nan 8.210 nan 0.000 0.435 415 K N 2.486 122.894 120.400 0.014 0.000 2.237 415 K HA 0.463 4.787 4.320 0.006 0.000 0.270 415 K C -0.373 176.242 176.600 0.025 0.000 1.015 415 K CA -0.155 56.136 56.287 0.006 0.000 0.949 415 K CB 1.436 33.924 32.500 -0.019 0.000 0.976 415 K HN 0.877 nan 8.250 nan 0.000 0.472 416 T N -1.021 113.550 114.554 0.028 0.000 2.906 416 T HA 0.169 4.522 4.350 0.006 0.000 0.295 416 T C 0.717 175.443 174.700 0.043 0.000 1.061 416 T CA -1.087 61.045 62.100 0.053 0.000 1.000 416 T CB 1.104 70.020 68.868 0.081 0.000 1.103 416 T HN 0.542 nan 8.240 nan 0.000 0.486 417 N N 1.138 119.880 118.700 0.069 0.000 2.551 417 N HA -0.058 4.686 4.740 0.006 0.000 0.199 417 N C 1.088 176.640 175.510 0.069 0.000 1.277 417 N CA 0.059 53.156 53.050 0.078 0.000 0.870 417 N CB -0.538 38.022 38.487 0.122 0.000 1.028 417 N HN 0.415 nan 8.380 nan 0.000 0.452 418 V N 1.100 121.050 119.914 0.061 0.000 2.270 418 V HA -0.224 3.899 4.120 0.006 0.000 0.245 418 V C 1.870 177.985 176.094 0.034 0.000 1.043 418 V CA 1.902 64.234 62.300 0.053 0.000 1.014 418 V CB -0.534 31.319 31.823 0.050 0.000 0.645 418 V HN 0.242 nan 8.190 nan 0.000 0.447 419 D N 0.072 120.485 120.400 0.022 0.000 2.170 419 D HA -0.227 4.417 4.640 0.006 0.000 0.193 419 D C 1.962 178.275 176.300 0.022 0.000 1.004 419 D CA 1.697 55.705 54.000 0.014 0.000 0.860 419 D CB -0.333 40.467 40.800 0.000 0.000 0.931 419 D HN 0.386 nan 8.370 nan 0.000 0.448 420 L N 0.836 122.079 121.223 0.033 0.000 2.005 420 L HA -0.167 4.177 4.340 0.006 0.000 0.207 420 L C 2.116 179.003 176.870 0.029 0.000 1.072 420 L CA 1.652 56.522 54.840 0.050 0.000 0.744 420 L CB -0.532 41.588 42.059 0.102 0.000 0.895 420 L HN -0.121 nan 8.230 nan 0.000 0.433 421 Q N -0.129 119.687 119.800 0.026 0.000 2.181 421 Q HA -0.178 4.166 4.340 0.006 0.000 0.205 421 Q C 2.321 178.318 176.000 -0.004 0.000 0.980 421 Q CA 2.166 57.968 55.803 -0.001 0.000 0.862 421 Q CB -0.402 28.351 28.738 0.024 0.000 0.905 421 Q HN 0.648 nan 8.270 nan 0.000 0.429 422 I N 0.781 121.361 120.570 0.016 0.000 2.252 422 I HA -0.272 3.901 4.170 0.006 0.000 0.245 422 I C 2.445 178.575 176.117 0.022 0.000 1.102 422 I CA 1.362 62.675 61.300 0.021 0.000 1.385 422 I CB -0.290 37.724 38.000 0.023 0.000 1.064 422 I HN 0.202 nan 8.210 nan 0.000 0.414 423 R N 1.207 121.720 120.500 0.021 0.000 2.235 423 R HA 0.002 4.346 4.340 0.006 0.000 0.213 423 R C 1.933 178.249 176.300 0.027 0.000 1.059 423 R CA 1.007 57.126 56.100 0.032 0.000 0.997 423 R CB -0.553 29.769 30.300 0.036 0.000 0.884 423 R HN 0.317 nan 8.270 nan 0.000 0.462 424 I N 0.952 121.507 120.570 -0.025 0.000 2.193 424 I HA -0.160 4.013 4.170 0.006 0.000 0.240 424 I C 2.178 178.221 176.117 -0.124 0.000 1.084 424 I CA 0.982 62.212 61.300 -0.118 0.000 1.365 424 I CB -0.165 37.675 38.000 -0.266 0.000 1.064 424 I HN 0.109 nan 8.210 nan 0.000 0.410 425 M N -0.032 119.521 119.600 -0.078 0.000 2.346 425 M HA -0.150 4.333 4.480 0.006 0.000 0.263 425 M C 0.915 177.330 176.300 0.192 0.000 1.064 425 M CA 1.313 56.691 55.300 0.130 0.000 1.083 425 M CB -1.143 31.521 32.600 0.108 0.000 1.399 425 M HN 0.229 nan 8.290 nan 0.000 0.435 426 N N 1.324 120.094 118.700 0.116 0.000 2.376 426 N HA 0.024 4.768 4.740 0.006 0.000 0.249 426 N C -0.606 174.977 175.510 0.122 0.000 1.140 426 N CA 0.128 53.241 53.050 0.106 0.000 0.870 426 N CB 0.264 38.792 38.487 0.069 0.000 1.124 426 N HN 0.245 nan 8.380 nan 0.000 0.505 427 D N 1.444 121.951 120.400 0.178 0.000 2.329 427 D HA 0.015 4.659 4.640 0.006 0.000 0.232 427 D C 1.373 177.781 176.300 0.180 0.000 1.088 427 D CA -0.191 53.923 54.000 0.191 0.000 0.835 427 D CB 1.263 42.202 40.800 0.232 0.000 1.078 427 D HN 0.206 nan 8.370 nan 0.000 0.495 428 E N 4.231 124.509 120.200 0.130 0.000 2.136 428 E HA -0.321 4.032 4.350 0.006 0.000 0.208 428 E C 0.522 177.172 176.600 0.083 0.000 1.035 428 E CA 1.407 57.861 56.400 0.090 0.000 0.838 428 E CB -0.248 29.494 29.700 0.068 0.000 0.748 428 E HN 0.487 nan 8.360 nan 0.000 0.459 429 N N 0.377 119.138 118.700 0.102 0.000 2.207 429 N HA -0.073 4.671 4.740 0.006 0.000 0.182 429 N C 1.884 177.387 175.510 -0.013 0.000 1.020 429 N CA 1.097 54.173 53.050 0.043 0.000 0.858 429 N CB -0.598 37.910 38.487 0.035 0.000 0.991 429 N HN 0.244 nan 8.380 nan 0.000 0.427 430 F N 2.464 122.318 119.950 -0.160 0.000 2.161 430 F HA -0.216 4.316 4.527 0.008 0.000 0.300 430 F C 2.450 178.212 175.800 -0.063 0.000 1.089 430 F CA 1.416 59.327 58.000 -0.150 0.000 1.282 430 F CB -0.086 38.847 39.000 -0.111 0.000 1.010 430 F HN -0.010 nan 8.300 nan 0.000 0.485 431 Q N -0.725 118.979 119.800 -0.160 0.000 2.077 431 Q HA -0.325 4.018 4.340 0.006 0.000 0.206 431 Q C 2.119 178.002 176.000 -0.196 0.000 0.989 431 Q CA 2.178 57.857 55.803 -0.207 0.000 0.853 431 Q CB -0.500 28.219 28.738 -0.031 0.000 0.907 431 Q HN 0.627 nan 8.270 nan 0.000 0.418 432 H N -0.722 118.238 119.070 -0.183 0.000 2.352 432 H HA 0.011 4.570 4.556 0.006 0.000 0.299 432 H C 0.519 175.733 175.328 -0.191 0.000 1.097 432 H CA 1.603 57.561 56.048 -0.150 0.000 1.311 432 H CB -0.230 29.476 29.762 -0.095 0.000 1.377 432 H HN 0.330 nan 8.280 nan 0.000 0.504 433 G N -2.886 105.754 108.800 -0.267 0.000 2.662 433 G HA2 0.287 4.250 3.960 0.006 0.000 0.686 433 G HA3 0.287 4.250 3.960 0.006 0.000 0.686 433 G C 0.756 175.548 174.900 -0.180 0.000 1.271 433 G CA 0.186 45.104 45.100 -0.303 0.000 0.816 433 G HN 1.283 nan 8.290 nan 0.000 0.608 434 G N -1.570 107.168 108.800 -0.103 0.000 2.157 434 G HA2 0.166 4.129 3.960 0.006 0.000 0.248 434 G HA3 0.166 4.129 3.960 0.006 0.000 0.248 434 G C 1.214 176.113 174.900 -0.002 0.000 0.979 434 G CA 1.511 46.594 45.100 -0.028 0.000 0.650 434 G HN 2.899 nan 8.290 nan 0.000 0.529 435 T N -0.061 114.471 114.554 -0.037 0.000 2.900 435 T HA 0.465 4.818 4.350 0.006 0.000 0.307 435 T C 0.797 175.509 174.700 0.019 0.000 1.065 435 T CA 0.469 62.529 62.100 -0.065 0.000 1.105 435 T CB 1.132 69.806 68.868 -0.324 0.000 0.979 435 T HN 0.934 nan 8.240 nan 0.000 0.544 436 N N 1.872 120.612 118.700 0.066 0.000 2.448 436 N HA 0.201 4.945 4.740 0.006 0.000 0.274 436 N C 1.284 176.768 175.510 -0.042 0.000 1.239 436 N CA -1.196 51.857 53.050 0.005 0.000 0.982 436 N CB 0.098 38.572 38.487 -0.022 0.000 1.199 436 N HN 0.852 nan 8.380 nan 0.000 0.576 437 I N -3.411 117.027 120.570 -0.220 0.000 3.334 437 I HA 0.016 4.189 4.170 0.006 0.000 0.282 437 I C 0.139 176.118 176.117 -0.231 0.000 1.313 437 I CA 0.756 61.930 61.300 -0.210 0.000 1.396 437 I CB -0.474 37.415 38.000 -0.184 0.000 1.054 437 I HN 0.352 nan 8.210 nan 0.000 0.495 438 H N -0.815 118.293 119.070 0.063 0.000 2.750 438 H HA 0.055 4.615 4.556 0.006 0.000 0.263 438 H C 1.563 176.922 175.328 0.052 0.000 0.964 438 H CA 0.251 56.317 56.048 0.030 0.000 1.205 438 H CB -0.374 29.395 29.762 0.012 0.000 1.454 438 H HN 0.438 nan 8.280 nan 0.000 0.503 439 Y N 1.466 121.806 120.300 0.067 0.000 2.256 439 Y HA -0.218 4.336 4.550 0.007 0.000 0.288 439 Y C 2.252 178.171 175.900 0.031 0.000 1.155 439 Y CA 0.857 58.991 58.100 0.056 0.000 1.203 439 Y CB -0.062 38.432 38.460 0.057 0.000 0.980 439 Y HN 0.068 nan 8.280 nan 0.000 0.530 440 L N 0.565 121.896 121.223 0.180 0.000 2.005 440 L HA -0.158 4.185 4.340 0.006 0.000 0.207 440 L C 2.162 179.017 176.870 -0.026 0.000 1.072 440 L CA 1.903 56.792 54.840 0.083 0.000 0.744 440 L CB -0.784 41.299 42.059 0.039 0.000 0.895 440 L HN 0.216 nan 8.230 nan 0.000 0.433 441 E N -0.660 119.517 120.200 -0.039 0.000 2.204 441 E HA -0.282 4.072 4.350 0.006 0.000 0.195 441 E C 2.072 178.630 176.600 -0.070 0.000 0.990 441 E CA 1.062 57.424 56.400 -0.064 0.000 0.821 441 E CB -0.039 29.623 29.700 -0.063 0.000 0.750 441 E HN 0.451 nan 8.360 nan 0.000 0.477 442 K N 1.540 121.881 120.400 -0.098 0.000 2.025 442 K HA -0.162 4.161 4.320 0.006 0.000 0.207 442 K C 2.176 178.679 176.600 -0.162 0.000 1.049 442 K CA 1.190 57.393 56.287 -0.140 0.000 0.933 442 K CB 0.057 32.441 32.500 -0.194 0.000 0.714 442 K HN -0.140 nan 8.250 nan 0.000 0.438 443 K N 0.266 120.538 120.400 -0.213 0.000 2.147 443 K HA -0.076 4.248 4.320 0.006 0.000 0.205 443 K C 1.006 177.578 176.600 -0.047 0.000 1.049 443 K CA 0.782 56.983 56.287 -0.144 0.000 0.936 443 K CB 0.077 32.514 32.500 -0.105 0.000 0.722 443 K HN 0.062 nan 8.250 nan 0.000 0.446 444 L N -1.503 119.705 121.223 -0.025 0.000 2.945 444 L HA 0.291 4.634 4.340 0.006 0.000 0.171 444 L C 1.855 178.734 176.870 0.015 0.000 1.669 444 L CA -0.312 54.544 54.840 0.027 0.000 1.963 444 L CB -0.597 41.505 42.059 0.072 0.000 2.719 444 L HN 0.144 nan 8.230 nan 0.000 0.570 445 G N -0.447 108.381 108.800 0.046 0.000 2.830 445 G HA2 0.154 4.117 3.960 0.006 0.000 0.172 445 G HA3 0.154 4.117 3.960 0.006 0.000 0.172 445 G C 0.255 175.152 174.900 -0.004 0.000 1.782 445 G CA -0.090 45.028 45.100 0.029 0.000 0.900 445 G HN 0.330 nan 8.290 nan 0.000 0.389 446 L N 0.000 121.219 121.223 -0.006 0.000 2.949 446 L HA 0.000 4.344 4.340 0.006 0.000 0.249 446 L CA 0.000 54.823 54.840 -0.029 0.000 0.813 446 L CB 0.000 42.027 42.059 -0.054 0.000 0.961 446 L HN 0.000 nan 8.230 nan 0.000 0.502